BIM-0013853.P001
TL;DR: BIM-0013853.P001 (CAS 210766-91-9) is a chemical compound with molecular formula C21H17N3OS2 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-pyridin-4-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BIM-0013853.P001, 2-((2-oxo-2-(thiophen-2-yl)ethyl)thio)-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-pyridin-4-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-{[2-oxo-2-(2-thienyl)ethyl]thio}-4-(4-pyridinyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C21H17N3OS2 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 4.93058 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.0813 |
| Heavy Atoms | 27 |
| Complexity | 1008.1511 |
Chemical Identifiers
| CAS Number | 210766-91-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CS3)C#N)C4=CC=NC=C4 |
Product Overview
BIM-0013853.P001 (CAS 210766-91-9), with molecular formula C21H17N3OS2 and molecular weight 391.08 g/mol. IUPAC: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-pyridin-4-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of BIM-0013853.P001
Property Insights of BIM-0013853.P001
The XLogP value of 4.93058 indicates that BIM-0013853.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0013853.P001. Following Lipinski's Rule of Five, BIM-0013853.P001 has 0 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 BIM-0013853.P001?
The CAS number of BIM-0013853.P001 is 210766-91-9.
What is the molecular formula of BIM-0013853.P001?
The molecular formula of BIM-0013853.P001 is C21H17N3OS2.
What is the molecular weight of BIM-0013853.P001?
The molecular weight of BIM-0013853.P001 is 391.08 g/mol.
Where can I buy BIM-0013853.P001?
You can request a quote for BIM-0013853.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0013853.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0013853.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.