A3739/0158430
TL;DR: A3739/0158430 (CAS 1164556-87-9) is a chemical compound with molecular formula C23H19BrN4O3 and molecular weight 478.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Also Known As: A3739/0158430, N-[1-({[2-(1H-benzimidazol-2-yl)ethyl]amino}carbonyl)-2-(2-furyl)vinyl]-4-bromobenzamide, (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-2-[(4-BROMOPHENYL)FORMAMIDO]-3-(FURAN-2-YL)PROP-2-ENAMIDE, (Z)-N-(3-((2-(1H-benzo[d]imidazol-2-yl)ethyl)amino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl)-4-bromobenzamide, N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
| Molecular Formula | C23H19BrN4O3 |
|---|---|
| Molecular Weight | 478.06 g/mol |
| LogP | 4.0482 |
| Topological Polar Surface Area | 100.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.06406 |
| Heavy Atoms | 31 |
| Complexity | 1194.4502 |
Chemical Identifiers
| CAS Number | 1164556-87-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CCNC(=O)/C(=C/C3=CC=CO3)/NC(=O)C4=CC=C(C=C4)Br |
Product Overview
A3739/0158430 (CAS 1164556-87-9), with molecular formula C23H19BrN4O3 and molecular weight 478.06 g/mol. IUPAC: N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide.
Chemical Property Profile of A3739/0158430
Property Insights of A3739/0158430
The XLogP value of 4.0482 indicates that A3739/0158430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A3739/0158430. Following Lipinski's Rule of Five, A3739/0158430 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3739/0158430?
The CAS number of A3739/0158430 is 1164556-87-9.
What is the molecular formula of A3739/0158430?
The molecular formula of A3739/0158430 is C23H19BrN4O3.
What is the molecular weight of A3739/0158430?
The molecular weight of A3739/0158430 is 478.06 g/mol.
Where can I buy A3739/0158430?
You can request a quote for A3739/0158430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3739/0158430?
Yes, KEHONG BIO provides custom synthesis services for A3739/0158430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.