3-(Boc-amino)-3-(4-bromophenyl)-1-propanol - CAS 898404-64-3
Catalog: |
BB039625 |
Product Name: |
3-(Boc-amino)-3-(4-bromophenyl)-1-propanol |
CAS: |
898404-64-3 |
Synonyms: |
N-[1-(4-bromophenyl)-3-hydroxypropyl]carbamic acid tert-butyl ester; tert-butyl N-[1-(4-bromophenyl)-3-hydroxypropyl]carbamate |
IUPAC Name: | tert-butyl N-[1-(4-bromophenyl)-3-hydroxypropyl]carbamate |
Description: | 3-(Boc-amino)-3-(4-bromophenyl)-1-propanol (CAS# 898404-64-3 ) is a useful research chemical. |
Molecular Weight: | 330.22 |
Molecular Formula: | C14H20BrNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCO)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C14H20BrNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18) |
InChI Key: | UBCLDDKLEQYVPZ-UHFFFAOYSA-N |
LogP: | 3.60170 |
Publication Number | Title | Priority Date |
WO-2020236688-A1 | Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes | 20190522 |
WO-2020236690-A1 | Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes | 20190522 |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
TW-202033504-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3880659-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.06266 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.06266 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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