![methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate structure](/static/products/861/861209-34-9.png)
methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate
TL;DR: methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate (CAS 861209-34-9) is a chemical compound with molecular formula C22H24N2O2S and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(4-tert-butylphenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl]acetate
Also Known As: methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate, 2T-0303, methyl 2-{[1-(4-tert-butylphenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate, methyl 2-[[1-(4-tert-butylphenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl]acetate, methyl2-{[1-(4-tert-butylphenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate
| Molecular Formula | C22H24N2O2S |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | 4.67158 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.15585 |
| Heavy Atoms | 27 |
| Complexity | 905.88074 |
Chemical Identifiers
| CAS Number | 861209-34-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(C3=C2CCC3)C#N)SCC(=O)OC |
Product Overview
methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate (CAS 861209-34-9), with molecular formula C22H24N2O2S and molecular weight 380.16 g/mol. IUPAC: methyl 2-[[1-(4-tert-butylphenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate
Property Insights of methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate
The XLogP value of 4.67158 indicates that methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate 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 methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate 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 methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate?
The CAS number of methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate is 861209-34-9.
What is the molecular formula of methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate?
The molecular formula of methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate is C22H24N2O2S.
What is the molecular weight of methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate?
The molecular weight of methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate is 380.16 g/mol.
Where can I buy methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate?
You can request a quote for methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.