7-Boc-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic Acid - CAS 1160248-16-7
Catalog: |
BB003687 |
Product Name: |
7-Boc-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic Acid |
CAS: |
1160248-16-7 |
Synonyms: |
7-[(2-methylpropan-2-yl)oxy-oxomethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid; 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid |
IUPAC Name: | 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid |
Description: | 7-Boc-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic Acid (CAS# 1160248-16-7 ) is a useful research chemical. |
Molecular Weight: | 267.28 |
Molecular Formula: | C12H17N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN2C=NC(=C2C1)C(=O)O |
InChI: | InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-5-15-7-13-9(10(16)17)8(15)6-14/h7H,4-6H2,1-3H3,(H,16,17) |
InChI Key: | ZBPUKXNTBSOWSZ-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD12198789 |
LogP: | 1.26990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020221816-A1 | Novel phenyl and pyridyl ureas active against the hepatitis b virus (hbv) | 20190430 |
WO-2020221826-A1 | Novel indole-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-202106685-A | Novel phenyl and pyridyl ureas active against the hepatitis b virus (hbv) | 20190430 |
TW-202106687-A | Novel indole-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
Complexity: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.12190603 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.12190603 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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