UPCMLD0ENAT5750374:001
TL;DR: UPCMLD0ENAT5750374:001 (CAS 876719-08-3) is a chemical compound with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-chloroanilino)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5750374:001, BAS 10198358, AB00675761-01, AB00675761-02, 5-[3-(4-chloroanilino)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C22H19ClN4O2 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.5607 |
| Topological Polar Surface Area | 82.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.11966 |
| Heavy Atoms | 29 |
| Complexity | 1299.1246 |
Chemical Identifiers
| CAS Number | 876719-08-3 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CNC4=CC=C(C=C4)Cl)O |
Product Overview
UPCMLD0ENAT5750374:001 (CAS 876719-08-3), with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol. IUPAC: 5-[3-(4-chloroanilino)-2-hydroxypropyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5750374:001
Property Insights of UPCMLD0ENAT5750374:001
The XLogP value of 3.5607 indicates that UPCMLD0ENAT5750374:001 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 UPCMLD0ENAT5750374:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5750374:001 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 UPCMLD0ENAT5750374:001?
The CAS number of UPCMLD0ENAT5750374:001 is 876719-08-3.
What is the molecular formula of UPCMLD0ENAT5750374:001?
The molecular formula of UPCMLD0ENAT5750374:001 is C22H19ClN4O2.
What is the molecular weight of UPCMLD0ENAT5750374:001?
The molecular weight of UPCMLD0ENAT5750374:001 is 406.12 g/mol.
Where can I buy UPCMLD0ENAT5750374:001?
You can request a quote for UPCMLD0ENAT5750374:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5750374:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5750374:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.