A2367/0100036
TL;DR: A2367/0100036 (CAS 328107-13-7) is a chemical compound with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(7E)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate
Also Known As: A2367/0100036, methyl 2-{[(7Z)-3-cyano-4-(thiophen-2-yl)-7-[(thiophen-2-yl)methylidene]-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate, methyl {[(7E)-3-cyano-4-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate, methyl {[3-cyano-4-(2-thienyl)-7-(2-thienylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate, methyl {[3-cyano-4-(2-thienyl)-7-(2-thienylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio}acetate
| Molecular Formula | C21H16N2O2S3 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 5.49518 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.03738 |
| Heavy Atoms | 28 |
| Complexity | 1078.0513 |
Chemical Identifiers
| CAS Number | 328107-13-7 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=C2CC/C(=C\C3=CC=CS3)/C2=N1)C4=CC=CS4)C#N |
Product Overview
A2367/0100036 (CAS 328107-13-7), with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol. IUPAC: methyl 2-[[(7E)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of A2367/0100036
Property Insights of A2367/0100036
The XLogP value of 5.49518 indicates that A2367/0100036 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 A2367/0100036. Following Lipinski's Rule of Five, A2367/0100036 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2367/0100036?
The CAS number of A2367/0100036 is 328107-13-7.
What is the molecular formula of A2367/0100036?
The molecular formula of A2367/0100036 is C21H16N2O2S3.
What is the molecular weight of A2367/0100036?
The molecular weight of A2367/0100036 is 424.04 g/mol.
Where can I buy A2367/0100036?
You can request a quote for A2367/0100036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2367/0100036?
Yes, KEHONG BIO provides custom synthesis services for A2367/0100036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.