AB00672858-01
TL;DR: AB00672858-01 (CAS 384858-59-7) is a chemical compound with molecular formula C25H20ClN3O2S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Also Known As: AB00672858-01, 6-(benzylsulfanyl)-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide, A2512/0106697, F0894-0064, 6-benzylsulfanyl-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C25H20ClN3O2S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 6.20108 |
| Topological Polar Surface Area | 78.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.09647 |
| Heavy Atoms | 32 |
| Complexity | 1210.3328 |
Chemical Identifiers
| CAS Number | 384858-59-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)Cl |
Product Overview
AB00672858-01 (CAS 384858-59-7), with molecular formula C25H20ClN3O2S and molecular weight 461.10 g/mol. IUPAC: 6-benzylsulfanyl-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of AB00672858-01
Property Insights of AB00672858-01
The XLogP value of 6.20108 indicates that AB00672858-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672858-01. Following Lipinski's Rule of Five, AB00672858-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672858-01?
The CAS number of AB00672858-01 is 384858-59-7.
What is the molecular formula of AB00672858-01?
The molecular formula of AB00672858-01 is C25H20ClN3O2S.
What is the molecular weight of AB00672858-01?
The molecular weight of AB00672858-01 is 461.10 g/mol.
Where can I buy AB00672858-01?
You can request a quote for AB00672858-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672858-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672858-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.