BAS 00776955
TL;DR: BAS 00776955 (CAS 313391-68-3) is a chemical compound with molecular formula C15H15FN2O3S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00776955, methyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 1-acetyl-6-(2-fluorophenyl)-4-methyl-2-thioxo-1,3,6-trihydropyrimidine- 5-carboxylate, METHYL 3-ACETYL-4-(2-FLUOROPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, methyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C15H15FN2O3S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 2.0504 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.07874 |
| Heavy Atoms | 22 |
| Complexity | 687.12006 |
Chemical Identifiers
| CAS Number | 313391-68-3 |
|---|---|
| SMILES | CC1=C(C(N(C(=S)N1)C(=O)C)C2=CC=CC=C2F)C(=O)OC |
Product Overview
BAS 00776955 (CAS 313391-68-3), with molecular formula C15H15FN2O3S and molecular weight 322.08 g/mol. IUPAC: methyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00776955
Property Insights of BAS 00776955
The XLogP value of 2.0504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00776955. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 00776955 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00776955 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 00776955?
The CAS number of BAS 00776955 is 313391-68-3.
What is the molecular formula of BAS 00776955?
The molecular formula of BAS 00776955 is C15H15FN2O3S.
What is the molecular weight of BAS 00776955?
The molecular weight of BAS 00776955 is 322.08 g/mol.
Where can I buy BAS 00776955?
You can request a quote for BAS 00776955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00776955?
Yes, KEHONG BIO provides custom synthesis services for BAS 00776955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.