BAS 01235599
TL;DR: BAS 01235599 (CAS 330558-09-3) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: BAS 01235599, A2058/0086583, methyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-oxo-4-(o-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 0.9513 |
| Topological Polar Surface Area | 122.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 797.3279 |
Chemical Identifiers
| CAS Number | 330558-09-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OC |
Product Overview
BAS 01235599 (CAS 330558-09-3), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: methyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of BAS 01235599
Property Insights of BAS 01235599
The XLogP value of 0.9513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01235599. The TPSA of 122.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01235599. Following Lipinski's Rule of Five, BAS 01235599 has 2 hydrogen bond donor(s) and 6 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 01235599?
The CAS number of BAS 01235599 is 330558-09-3.
What is the molecular formula of BAS 01235599?
The molecular formula of BAS 01235599 is C17H17N3O4S.
What is the molecular weight of BAS 01235599?
The molecular weight of BAS 01235599 is 359.09 g/mol.
Where can I buy BAS 01235599?
You can request a quote for BAS 01235599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01235599?
Yes, KEHONG BIO provides custom synthesis services for BAS 01235599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.