AB00685675-01
TL;DR: AB00685675-01 (CAS 379239-60-8) is a chemical compound with molecular formula C17H16N4O5S2 and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: AB00685675-01, F1142-3111, 2,4-dimethyl 3-methyl-5-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate, dimethyl 5-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C17H16N4O5S2 |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 2.40322 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.0562 |
| Heavy Atoms | 28 |
| Complexity | 1059.1809 |
Chemical Identifiers
| CAS Number | 379239-60-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C3N2C=CC=C3)C(=O)OC |
Product Overview
AB00685675-01 (CAS 379239-60-8), with molecular formula C17H16N4O5S2 and molecular weight 420.06 g/mol. IUPAC: dimethyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of AB00685675-01
Property Insights of AB00685675-01
The XLogP value of 2.40322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685675-01. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685675-01. Following Lipinski's Rule of Five, AB00685675-01 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 AB00685675-01?
The CAS number of AB00685675-01 is 379239-60-8.
What is the molecular formula of AB00685675-01?
The molecular formula of AB00685675-01 is C17H16N4O5S2.
What is the molecular weight of AB00685675-01?
The molecular weight of AB00685675-01 is 420.06 g/mol.
Where can I buy AB00685675-01?
You can request a quote for AB00685675-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685675-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685675-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.