N-Boc-2-amino-4-(benzyloxy)-1-iodonaphthalene - CAS 161646-53-3
Catalog: |
BB011770 |
Product Name: |
N-Boc-2-amino-4-(benzyloxy)-1-iodonaphthalene |
CAS: |
161646-53-3 |
Synonyms: |
N-(1-iodo-4-phenylmethoxy-2-naphthalenyl)carbamic acid tert-butyl ester; tert-butyl N-(1-iodo-4-phenylmethoxynaphthalen-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(1-iodo-4-phenylmethoxynaphthalen-2-yl)carbamate |
Description: | N-Boc-2-amino-4-(benzyloxy)-1-iodonaphthalene (CAS# 161646-53-3 ) is a useful research chemical. |
Molecular Weight: | 475.32 |
Molecular Formula: | C22H22INO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C2=CC=CC=C2C(=C1)OCC3=CC=CC=C3)I |
InChI: | InChI=1S/C22H22INO3/c1-22(2,3)27-21(25)24-18-13-19(26-14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)20(18)23/h4-13H,14H2,1-3H3,(H,24,25) |
InChI Key: | CNMDREPWSZVYGL-UHFFFAOYSA-N |
LogP: | 6.44340 |
Publication Number | Title | Priority Date |
WO-2020254322-A1 | New tricyclic 5-ht2 antagonists | 20190618 |
WO-2020157491-A1 | G-a crosslinking cytotoxic agents | 20190129 |
EP-3522932-A1 | Isoquinolidinobenzodiazepine (iqb)-1(chloromethyl)-2,3-dihydro-1h-benzo[e]indole (cbi) dimers | 20161010 |
US-10350218-B2 | Isoquinolidinobenzodiazepine (IQB)-1(chloromethyl)-2,3-dihydro-1H-benzo[e]indole (CBI) dimers | 20161010 |
US-2018177795-A1 | Isoquinolidinobenzodiazepine (iqb)-1(chloromethyl)-2,3-dihydro-1h-benzo[e]indole (cbi) dimers | 20161010 |
Complexity: | 486 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 475.06444 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 475.06444 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.9 |
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