BAS 00279427
TL;DR: BAS 00279427 (CAS 313391-67-2) is a chemical compound with molecular formula C16H17FN2O3S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00279427, Ethyl 1-acetyl-6-(2-fluorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-thioxo-5-pyrimidinecarboxylate, ethyl 1-acetyl-6-(2-fluorophenyl)-4-methyl-2-thioxo-1,3,6-trihydropyrimidine-5 -carboxylate, Ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H17FN2O3S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.4405 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0944 |
| Heavy Atoms | 23 |
| Complexity | 702.3207 |
Chemical Identifiers
| CAS Number | 313391-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2F)C(=O)C)C |
Product Overview
BAS 00279427 (CAS 313391-67-2), with molecular formula C16H17FN2O3S and molecular weight 336.09 g/mol. IUPAC: ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00279427
Property Insights of BAS 00279427
The XLogP value of 2.4405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00279427. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 00279427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00279427 has 1 hydrogen bond donor(s) and 4 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 BAS 00279427?
The CAS number of BAS 00279427 is 313391-67-2.
What is the molecular formula of BAS 00279427?
The molecular formula of BAS 00279427 is C16H17FN2O3S.
What is the molecular weight of BAS 00279427?
The molecular weight of BAS 00279427 is 336.09 g/mol.
Where can I buy BAS 00279427?
You can request a quote for BAS 00279427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00279427?
Yes, KEHONG BIO provides custom synthesis services for BAS 00279427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.