![(3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid structure](/static/products/3375/337500-97-7.webp)
(3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid
TL;DR: (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid (CAS 337500-97-7) is a chemical compound with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: BAS 01369743, VU0494086-1, F0894-0180, (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid, ethyl 2-((3-cyano-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate
| Molecular Formula | C19H22N2O2S |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 3.92088 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.1402 |
| Heavy Atoms | 24 |
| Complexity | 706.2988 |
Chemical Identifiers
| CAS Number | 337500-97-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3CCC=CC3 |
Product Overview
(3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid (CAS 337500-97-7), with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol. IUPAC: ethyl 2-[(3-cyano-4-cyclohex-3-en-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid
Property Insights of (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid
The XLogP value of 3.92088 indicates that (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid has 0 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 (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid?
The CAS number of (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid is 337500-97-7.
What is the molecular formula of (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid?
The molecular formula of (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid is C19H22N2O2S.
What is the molecular weight of (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid?
The molecular weight of (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid is 342.14 g/mol.
Where can I buy (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid?
You can request a quote for (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Cyano-4-cyclohex-3-enyl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.