UPCMLD0ENAT5748210:001
TL;DR: UPCMLD0ENAT5748210:001 (CAS 861644-99-7) is a chemical compound with molecular formula C22H18ClN3S and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methylsulfanyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5748210:001, 1-((2-chlorobenzyl)thio)-2-ethyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[(2-chlorobenzyl)sulfanyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(2-chlorophenyl)methylsulfanyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 4-[(2-chlorophenyl)methylthio]-3-ethyl-2-methyl-5-hydropyridino[1,2-a]benzimid azolecarbonitrile
| Molecular Formula | C22H18ClN3S |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 6.1757 |
| Topological Polar Surface Area | 41.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.091 |
| Heavy Atoms | 27 |
| Complexity | 1203.8451 |
Chemical Identifiers
| CAS Number | 861644-99-7 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)SCC4=CC=CC=C4Cl |
Product Overview
UPCMLD0ENAT5748210:001 (CAS 861644-99-7), with molecular formula C22H18ClN3S and molecular weight 391.09 g/mol. IUPAC: 1-[(2-chlorophenyl)methylsulfanyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5748210:001
Property Insights of UPCMLD0ENAT5748210:001
The XLogP value of 6.1757 indicates that UPCMLD0ENAT5748210:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.09 Ų, UPCMLD0ENAT5748210:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5748210:001 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5748210:001?
The CAS number of UPCMLD0ENAT5748210:001 is 861644-99-7.
What is the molecular formula of UPCMLD0ENAT5748210:001?
The molecular formula of UPCMLD0ENAT5748210:001 is C22H18ClN3S.
What is the molecular weight of UPCMLD0ENAT5748210:001?
The molecular weight of UPCMLD0ENAT5748210:001 is 391.09 g/mol.
Where can I buy UPCMLD0ENAT5748210:001?
You can request a quote for UPCMLD0ENAT5748210:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5748210:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5748210:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.