ChemDiv1_001971
TL;DR: ChemDiv1_001971 (CAS 301236-68-0) is a chemical compound with molecular formula C19H20N4O5S2 and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_001971, UPCMLD0ENAT0500-6489:001, F0307-0458, 2,4-diethyl 3-methyl-5-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate
| Molecular Formula | C19H20N4O5S2 |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 3.18342 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.08752 |
| Heavy Atoms | 30 |
| Complexity | 1091.9747 |
Chemical Identifiers
| CAS Number | 301236-68-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C3N2C=CC=C3 |
Product Overview
ChemDiv1_001971 (CAS 301236-68-0), with molecular formula C19H20N4O5S2 and molecular weight 448.09 g/mol. IUPAC: diethyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_001971
Property Insights of ChemDiv1_001971
The XLogP value of 3.18342 indicates that ChemDiv1_001971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001971. Following Lipinski's Rule of Five, ChemDiv1_001971 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 ChemDiv1_001971?
The CAS number of ChemDiv1_001971 is 301236-68-0.
What is the molecular formula of ChemDiv1_001971?
The molecular formula of ChemDiv1_001971 is C19H20N4O5S2.
What is the molecular weight of ChemDiv1_001971?
The molecular weight of ChemDiv1_001971 is 448.09 g/mol.
Where can I buy ChemDiv1_001971?
You can request a quote for ChemDiv1_001971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001971?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.