BAS 01235387
TL;DR: BAS 01235387 (CAS 318245-73-7) is a chemical compound with molecular formula C21H22N4O3S2 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide
Also Known As: BAS 01235387, 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-hydroxy-2-methyl-4-(thiophen-2-yl)-N-(o-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxamide, 6-[(carbamoylmethyl)sulfanyl]-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxamide, F0837-0210, A1937/0081462
| Molecular Formula | C21H22N4O3S2 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 2.6604 |
| Topological Polar Surface Area | 128.24 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.11334 |
| Heavy Atoms | 30 |
| Complexity | 1025.1224 |
Chemical Identifiers
| CAS Number | 318245-73-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2C(C(=C(NC2(C)O)SCC(=O)N)C#N)C3=CC=CS3 |
Product Overview
BAS 01235387 (CAS 318245-73-7), with molecular formula C21H22N4O3S2 and molecular weight 442.11 g/mol. IUPAC: 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide.
Chemical Property Profile of BAS 01235387
Property Insights of BAS 01235387
The XLogP value of 2.6604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01235387. The TPSA of 128.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01235387. Following Lipinski's Rule of Five, BAS 01235387 has 4 hydrogen bond donor(s) and 7 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 BAS 01235387?
The CAS number of BAS 01235387 is 318245-73-7.
What is the molecular formula of BAS 01235387?
The molecular formula of BAS 01235387 is C21H22N4O3S2.
What is the molecular weight of BAS 01235387?
The molecular weight of BAS 01235387 is 442.11 g/mol.
Where can I buy BAS 01235387?
You can request a quote for BAS 01235387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01235387?
Yes, KEHONG BIO provides custom synthesis services for BAS 01235387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.