BAS 01369753
TL;DR: BAS 01369753 (CAS 337501-11-8) is a chemical compound with molecular formula C23H22N2OS and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohex-3-en-1-yl-2-phenacylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: BAS 01369753, 4-(CYCLOHEX-3-EN-1-YL)-2-[(2-OXO-2-PHENYLETHYL)SULFANYL]-5H,6H,7H-CYCLOPENTA[B]PYRIDINE-3-CARBONITRILE, F0894-0182, A2479/0105331, 4-cyclohex-3-en-1-yl-2-phenacylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C23H22N2OS |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 5.24068 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1453 |
| Heavy Atoms | 27 |
| Complexity | 927.62994 |
Chemical Identifiers
| CAS Number | 337501-11-8 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3CCC=CC3)C#N)SCC(=O)C4=CC=CC=C4 |
Product Overview
BAS 01369753 (CAS 337501-11-8), with molecular formula C23H22N2OS and molecular weight 374.15 g/mol. IUPAC: 4-cyclohex-3-en-1-yl-2-phenacylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 01369753
Property Insights of BAS 01369753
The XLogP value of 5.24068 indicates that BAS 01369753 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 01369753 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01369753 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 01369753?
The CAS number of BAS 01369753 is 337501-11-8.
What is the molecular formula of BAS 01369753?
The molecular formula of BAS 01369753 is C23H22N2OS.
What is the molecular weight of BAS 01369753?
The molecular weight of BAS 01369753 is 374.15 g/mol.
Where can I buy BAS 01369753?
You can request a quote for BAS 01369753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01369753?
Yes, KEHONG BIO provides custom synthesis services for BAS 01369753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.