AB00469178-03
TL;DR: AB00469178-03 (CAS 538337-49-4) is a chemical compound with molecular formula C19H18N4O4S2 and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AB00469178-03, AB00469178-09, AF-399/42878270, ethyl 2-(2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, F1252-1219
| Molecular Formula | C19H18N4O4S2 |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 3.5893 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.07693 |
| Heavy Atoms | 29 |
| Complexity | 1032.2661 |
Chemical Identifiers
| CAS Number | 538337-49-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(O3)C4=CN=CC=C4 |
Product Overview
AB00469178-03 (CAS 538337-49-4), with molecular formula C19H18N4O4S2 and molecular weight 430.08 g/mol. IUPAC: ethyl 2-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00469178-03
Property Insights of AB00469178-03
The XLogP value of 3.5893 indicates that AB00469178-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00469178-03. Following Lipinski's Rule of Five, AB00469178-03 has 1 hydrogen bond donor(s) and 9 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 AB00469178-03?
The CAS number of AB00469178-03 is 538337-49-4.
What is the molecular formula of AB00469178-03?
The molecular formula of AB00469178-03 is C19H18N4O4S2.
What is the molecular weight of AB00469178-03?
The molecular weight of AB00469178-03 is 430.08 g/mol.
Where can I buy AB00469178-03?
You can request a quote for AB00469178-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00469178-03?
Yes, KEHONG BIO provides custom synthesis services for AB00469178-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.