BAS 03771937
TL;DR: BAS 03771937 (CAS 459153-73-2) is a chemical compound with molecular formula C14H15F3N2O5S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: BAS 03771937, ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, 6-(3,4-Dihydroxy-phenyl)-4-hydroxy-2-thioxo-4-trifluoromethyl-hexahydro-pyrimidine-5-carboxylic acid ethyl ester, ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)-1,3-diaza perhydroine-5-carboxylate
| Molecular Formula | C14H15F3N2O5S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 1.0468 |
| Topological Polar Surface Area | 111.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.06537 |
| Heavy Atoms | 25 |
| Complexity | 699.53503 |
Chemical Identifiers
| CAS Number | 459153-73-2 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)O)O |
Product Overview
BAS 03771937 (CAS 459153-73-2), with molecular formula C14H15F3N2O5S and molecular weight 380.07 g/mol. IUPAC: ethyl 6-(3,4-dihydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of BAS 03771937
Property Insights of BAS 03771937
The XLogP value of 1.0468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03771937. The TPSA of 111.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03771937. Following Lipinski's Rule of Five, BAS 03771937 has 5 hydrogen bond donor(s) and 6 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 03771937?
The CAS number of BAS 03771937 is 459153-73-2.
What is the molecular formula of BAS 03771937?
The molecular formula of BAS 03771937 is C14H15F3N2O5S.
What is the molecular weight of BAS 03771937?
The molecular weight of BAS 03771937 is 380.07 g/mol.
Where can I buy BAS 03771937?
You can request a quote for BAS 03771937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03771937?
Yes, KEHONG BIO provides custom synthesis services for BAS 03771937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.