BAS 01057977
TL;DR: BAS 01057977 (CAS 394226-86-9) is a chemical compound with molecular formula C15H17FN2O2S and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 01057977, BIM-0011207.P001, propan-2-yl 6-(4-fluorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, propan-2-yl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, isopropyl 4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C15H17FN2O2S |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 2.5701 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0995 |
| Heavy Atoms | 21 |
| Complexity | 596.1961 |
Chemical Identifiers
| CAS Number | 394226-86-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)F)C(=O)OC(C)C |
Product Overview
BAS 01057977 (CAS 394226-86-9), with molecular formula C15H17FN2O2S and molecular weight 308.10 g/mol. IUPAC: propan-2-yl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 01057977
Property Insights of BAS 01057977
The XLogP value of 2.5701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01057977. With a topological polar surface area (TPSA) of 50.36 Ų, BAS 01057977 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01057977 has 2 hydrogen bond donor(s) and 3 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 01057977?
The CAS number of BAS 01057977 is 394226-86-9.
What is the molecular formula of BAS 01057977?
The molecular formula of BAS 01057977 is C15H17FN2O2S.
What is the molecular weight of BAS 01057977?
The molecular weight of BAS 01057977 is 308.10 g/mol.
Where can I buy BAS 01057977?
You can request a quote for BAS 01057977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01057977?
Yes, KEHONG BIO provides custom synthesis services for BAS 01057977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.