BAS 00635168
TL;DR: BAS 00635168 (CAS 331852-34-7) is a chemical compound with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-cyano-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: BAS 00635168, methyl {[3-cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, methyl [(3-cyano-4-{4-nitrophenyl}-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl)sulfanyl]acetate, methyl {[3-cyano-6-hydroxy-4-(4-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate, methyl 2-((3-cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
| Molecular Formula | C15H13N3O5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 1.83968 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.0576 |
| Heavy Atoms | 24 |
| Complexity | 751.36816 |
Chemical Identifiers
| CAS Number | 331852-34-7 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
BAS 00635168 (CAS 331852-34-7), with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol. IUPAC: methyl 2-[[5-cyano-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 00635168
Property Insights of BAS 00635168
The XLogP value of 1.83968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00635168. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00635168. Following Lipinski's Rule of Five, BAS 00635168 has 1 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 00635168?
The CAS number of BAS 00635168 is 331852-34-7.
What is the molecular formula of BAS 00635168?
The molecular formula of BAS 00635168 is C15H13N3O5S.
What is the molecular weight of BAS 00635168?
The molecular weight of BAS 00635168 is 347.06 g/mol.
Where can I buy BAS 00635168?
You can request a quote for BAS 00635168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635168?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.