A0440/0020364
TL;DR: A0440/0020364 (CAS 330181-04-9) is a chemical compound with molecular formula C22H18N2O2S2 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(3-cyano-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: A0440/0020364, benzyl {[3-cyano-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate, benzyl 2-((3-cyano-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate, benzyl 2-[(3-cyano-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate, BENZYL 2-{[3-CYANO-4-(THIOPHEN-2-YL)-5H,6H,7H-CYCLOPENTA[B]PYRIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C22H18N2O2S2 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 5.00598 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.08096 |
| Heavy Atoms | 28 |
| Complexity | 1024.9354 |
Chemical Identifiers
| CAS Number | 330181-04-9 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC(=O)OCC4=CC=CC=C4 |
Product Overview
A0440/0020364 (CAS 330181-04-9), with molecular formula C22H18N2O2S2 and molecular weight 406.08 g/mol. IUPAC: benzyl 2-[(3-cyano-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of A0440/0020364
Property Insights of A0440/0020364
The XLogP value of 5.00598 indicates that A0440/0020364 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 A0440/0020364. Following Lipinski's Rule of Five, A0440/0020364 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0440/0020364?
The CAS number of A0440/0020364 is 330181-04-9.
What is the molecular formula of A0440/0020364?
The molecular formula of A0440/0020364 is C22H18N2O2S2.
What is the molecular weight of A0440/0020364?
The molecular weight of A0440/0020364 is 406.08 g/mol.
Where can I buy A0440/0020364?
You can request a quote for A0440/0020364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0440/0020364?
Yes, KEHONG BIO provides custom synthesis services for A0440/0020364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.