BAS 01369750
TL;DR: BAS 01369750 (CAS 337501-07-2) is a chemical compound with molecular formula C17H17N3S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: BAS 01369750, 2-[(cyanomethyl)sulfanyl]-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile, F0837-0922, F0894-0187, A2479/0105330
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 337501-07-2 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3CCC=CC3)C#N)SCC#N |
| InChIKey | SWACGRXYUNHHOO-UHFFFAOYSA-N |
Product Overview
BAS 01369750 (CAS 337501-07-2), with molecular formula C17H17N3S and molecular weight 295.11 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 01369750
Property Insights of BAS 01369750
The XLogP value of 3.6 indicates that BAS 01369750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01369750. Following Lipinski's Rule of Five, BAS 01369750 has 0 hydrogen bond donor(s) and 4 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 01369750?
The CAS number of BAS 01369750 is 337501-07-2.
What is the molecular formula of BAS 01369750?
The molecular formula of BAS 01369750 is C17H17N3S.
What is the molecular weight of BAS 01369750?
The molecular weight of BAS 01369750 is 295.11 g/mol.
Where can I buy BAS 01369750?
You can request a quote for BAS 01369750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01369750?
Yes, KEHONG BIO provides custom synthesis services for BAS 01369750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.