AB00119409-01
TL;DR: AB00119409-01 (CAS 431998-40-2) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00119409-01, methyl 6-(3,4-diethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, METHYL 4-(3,4-DIETHOXYPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H22N2O4S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.4498 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.13004 |
| Heavy Atoms | 24 |
| Complexity | 672.55444 |
Chemical Identifiers
| CAS Number | 431998-40-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC |
Product Overview
AB00119409-01 (CAS 431998-40-2), with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol. IUPAC: methyl 4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00119409-01
Property Insights of AB00119409-01
The XLogP value of 2.4498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00119409-01. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00119409-01. Following Lipinski's Rule of Five, AB00119409-01 has 2 hydrogen bond donor(s) and 5 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 AB00119409-01?
The CAS number of AB00119409-01 is 431998-40-2.
What is the molecular formula of AB00119409-01?
The molecular formula of AB00119409-01 is C17H22N2O4S.
What is the molecular weight of AB00119409-01?
The molecular weight of AB00119409-01 is 350.13 g/mol.
Where can I buy AB00119409-01?
You can request a quote for AB00119409-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00119409-01?
Yes, KEHONG BIO provides custom synthesis services for AB00119409-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.