DivK1c_005976
TL;DR: DivK1c_005976 (CAS 375355-92-3) is a chemical compound with molecular formula C25H20N2O3S and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(5-cyano-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate
Also Known As: DivK1c_005976, CDS1_004936, BIM-0036769.P001, benzyl 2-[(5-cyano-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate, benzyl {[3-cyano-6-hydroxy-4-(naphthalen-1-yl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C25H20N2O3S |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 4.65508 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.11948 |
| Heavy Atoms | 31 |
| Complexity | 1192.8676 |
Chemical Identifiers
| CAS Number | 375355-92-3 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC4=CC=CC=C43 |
Product Overview
DivK1c_005976 (CAS 375355-92-3), with molecular formula C25H20N2O3S and molecular weight 428.12 g/mol. IUPAC: benzyl 2-[(5-cyano-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate.
Chemical Property Profile of DivK1c_005976
Property Insights of DivK1c_005976
The XLogP value of 4.65508 indicates that DivK1c_005976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005976. Following Lipinski's Rule of Five, DivK1c_005976 has 1 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 DivK1c_005976?
The CAS number of DivK1c_005976 is 375355-92-3.
What is the molecular formula of DivK1c_005976?
The molecular formula of DivK1c_005976 is C25H20N2O3S.
What is the molecular weight of DivK1c_005976?
The molecular weight of DivK1c_005976 is 428.12 g/mol.
Where can I buy DivK1c_005976?
You can request a quote for DivK1c_005976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005976?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.