AB00675760-01
TL;DR: AB00675760-01 (CAS 877622-39-4) is a chemical compound with molecular formula C22H19BrN4O2 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-bromoanilino)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: AB00675760-01, F1739-0065, 5-(3-((4-bromophenyl)amino)-2-hydroxypropyl)-3-methyl-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 8-{3-[(4-bromophenyl)amino]-2-hydroxypropyl}-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,9,11-pentaene-10-carbonitrile, 5-[3-(4-bromoanilino)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C22H19BrN4O2 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 3.6698 |
| Topological Polar Surface Area | 82.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.06915 |
| Heavy Atoms | 29 |
| Complexity | 1299.1246 |
Chemical Identifiers
| CAS Number | 877622-39-4 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CNC4=CC=C(C=C4)Br)O |
Product Overview
AB00675760-01 (CAS 877622-39-4), with molecular formula C22H19BrN4O2 and molecular weight 450.07 g/mol. IUPAC: 5-[3-(4-bromoanilino)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of AB00675760-01
Property Insights of AB00675760-01
The XLogP value of 3.6698 indicates that AB00675760-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675760-01. Following Lipinski's Rule of Five, AB00675760-01 has 2 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 AB00675760-01?
The CAS number of AB00675760-01 is 877622-39-4.
What is the molecular formula of AB00675760-01?
The molecular formula of AB00675760-01 is C22H19BrN4O2.
What is the molecular weight of AB00675760-01?
The molecular weight of AB00675760-01 is 450.07 g/mol.
Where can I buy AB00675760-01?
You can request a quote for AB00675760-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675760-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675760-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.