BAS 01369754
TL;DR: BAS 01369754 (CAS 337501-13-0) is a chemical compound with molecular formula C23H21ClN2OS and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: BAS 01369754, F0894-0186, A2479/0105335, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-4-(CYCLOHEX-3-EN-1-YL)-5H,6H,7H-CYCLOPENTA[B]PYRIDINE-3-CARBONITRILE
| Molecular Formula | C23H21ClN2OS |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 5.89408 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.10632 |
| Heavy Atoms | 28 |
| Complexity | 975.57733 |
Chemical Identifiers
| CAS Number | 337501-13-0 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3CCC=CC3)C#N)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
BAS 01369754 (CAS 337501-13-0), with molecular formula C23H21ClN2OS and molecular weight 408.11 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 01369754
Property Insights of BAS 01369754
The XLogP value of 5.89408 indicates that BAS 01369754 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, BAS 01369754 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01369754 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01369754?
The CAS number of BAS 01369754 is 337501-13-0.
What is the molecular formula of BAS 01369754?
The molecular formula of BAS 01369754 is C23H21ClN2OS.
What is the molecular weight of BAS 01369754?
The molecular weight of BAS 01369754 is 408.11 g/mol.
Where can I buy BAS 01369754?
You can request a quote for BAS 01369754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01369754?
Yes, KEHONG BIO provides custom synthesis services for BAS 01369754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.