AB00686412-01
TL;DR: AB00686412-01 (CAS 830344-20-2) is a chemical compound with molecular formula C12H12N2O5S2 and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: AB00686412-01, F1698-0004, 2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-((2-ethoxy-2-oxoethyl)thio)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[(ethoxycarbonyl)methylthio]-5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin e-6-carboxylic acid
| Molecular Formula | C12H12N2O5S2 |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 1.64642 |
| Topological Polar Surface Area | 109.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.01877 |
| Heavy Atoms | 21 |
| Complexity | 764.8289 |
Chemical Identifiers
| CAS Number | 830344-20-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)N1 |
Product Overview
AB00686412-01 (CAS 830344-20-2), with molecular formula C12H12N2O5S2 and molecular weight 328.02 g/mol. IUPAC: 2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of AB00686412-01
Property Insights of AB00686412-01
The XLogP value of 1.64642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686412-01. The TPSA of 109.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686412-01. Following Lipinski's Rule of Five, AB00686412-01 has 2 hydrogen bond donor(s) and 7 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 AB00686412-01?
The CAS number of AB00686412-01 is 830344-20-2.
What is the molecular formula of AB00686412-01?
The molecular formula of AB00686412-01 is C12H12N2O5S2.
What is the molecular weight of AB00686412-01?
The molecular weight of AB00686412-01 is 328.02 g/mol.
Where can I buy AB00686412-01?
You can request a quote for AB00686412-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686412-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686412-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.