AB00121939-01
TL;DR: AB00121939-01 (CAS 402603-95-6) is a chemical compound with molecular formula C15H17FN2O3S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00121939-01, A2711/0115334, 2-(methylsulfanyl)ethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(Methylsulfanyl)ethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #, 2-(methylthio)ethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C15H17FN2O3S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.0944 |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 402603-95-6 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)F)C(=O)OCCSC |
| InChIKey | WEDATKQJJXTLMG-UHFFFAOYSA-N |
Product Overview
AB00121939-01 (CAS 402603-95-6), with molecular formula C15H17FN2O3S and molecular weight 324.09 g/mol. IUPAC: 2-methylsulfanylethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00121939-01
Property Insights of AB00121939-01
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00121939-01. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00121939-01. Following Lipinski's Rule of Five, AB00121939-01 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 AB00121939-01?
The CAS number of AB00121939-01 is 402603-95-6.
What is the molecular formula of AB00121939-01?
The molecular formula of AB00121939-01 is C15H17FN2O3S.
What is the molecular weight of AB00121939-01?
The molecular weight of AB00121939-01 is 324.09 g/mol.
Where can I buy AB00121939-01?
You can request a quote for AB00121939-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00121939-01?
Yes, KEHONG BIO provides custom synthesis services for AB00121939-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.