BAS 00865617
TL;DR: BAS 00865617 (CAS 201273-69-0) is a chemical compound with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-2-methyl-N-phenyl-6-prop-2-enylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865617, A2182/0091694, 6-(allylthio)-5-cyano-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide, 5-cyano-2-methyl-N-phenyl-6-prop-2-enylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide, 5-cyano-2-methyl-N-phenyl-6-(prop-2-en-1-ylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C21H19N3OS2 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 5.00198 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.09695 |
| Heavy Atoms | 27 |
| Complexity | 937.5613 |
Chemical Identifiers
| CAS Number | 201273-69-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC=C)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3 |
Product Overview
BAS 00865617 (CAS 201273-69-0), with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol. IUPAC: 5-cyano-2-methyl-N-phenyl-6-prop-2-enylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865617
Property Insights of BAS 00865617
The XLogP value of 5.00198 indicates that BAS 00865617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865617. Following Lipinski's Rule of Five, BAS 00865617 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 BAS 00865617?
The CAS number of BAS 00865617 is 201273-69-0.
What is the molecular formula of BAS 00865617?
The molecular formula of BAS 00865617 is C21H19N3OS2.
What is the molecular weight of BAS 00865617?
The molecular weight of BAS 00865617 is 393.10 g/mol.
Where can I buy BAS 00865617?
You can request a quote for BAS 00865617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865617?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.