BAS 05594575
TL;DR: BAS 05594575 (CAS 797768-89-9) is a chemical compound with molecular formula C18H14ClN3O3S and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: BAS 05594575, N-(3-chlorophenyl)-2-((3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, N-(3-chlorophenyl)-2-{[3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
| Molecular Formula | C18H14ClN3O3S |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | 3.64358 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.04443 |
| Heavy Atoms | 26 |
| Complexity | 902.6552 |
Chemical Identifiers
| CAS Number | 797768-89-9 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CO3 |
Product Overview
BAS 05594575 (CAS 797768-89-9), with molecular formula C18H14ClN3O3S and molecular weight 387.04 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 05594575
Property Insights of BAS 05594575
The XLogP value of 3.64358 indicates that BAS 05594575 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05594575. Following Lipinski's Rule of Five, BAS 05594575 has 2 hydrogen bond donor(s) and 5 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 05594575?
The CAS number of BAS 05594575 is 797768-89-9.
What is the molecular formula of BAS 05594575?
The molecular formula of BAS 05594575 is C18H14ClN3O3S.
What is the molecular weight of BAS 05594575?
The molecular weight of BAS 05594575 is 387.04 g/mol.
Where can I buy BAS 05594575?
You can request a quote for BAS 05594575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594575?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.