VU0488899-1
TL;DR: VU0488899-1 (CAS 317330-62-4) is a chemical compound with molecular formula C14H15F3N2O4S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-6-(4-hydroxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: VU0488899-1, F1057-0470, AF-399/13855003, ethyl 4-hydroxy-6-(4-hydroxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 4-hydroxy-6-(4-hydroxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
| Molecular Formula | C14H15F3N2O4S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 1.3412 |
| Topological Polar Surface Area | 90.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.07047 |
| Heavy Atoms | 24 |
| Complexity | 637.90186 |
Chemical Identifiers
| CAS Number | 317330-62-4 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=C(C=C2)O |
Product Overview
VU0488899-1 (CAS 317330-62-4), with molecular formula C14H15F3N2O4S and molecular weight 364.07 g/mol. IUPAC: ethyl 4-hydroxy-6-(4-hydroxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of VU0488899-1
Property Insights of VU0488899-1
The XLogP value of 1.3412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0488899-1. The TPSA of 90.82 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0488899-1. Following Lipinski's Rule of Five, VU0488899-1 has 4 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 VU0488899-1?
The CAS number of VU0488899-1 is 317330-62-4.
What is the molecular formula of VU0488899-1?
The molecular formula of VU0488899-1 is C14H15F3N2O4S.
What is the molecular weight of VU0488899-1?
The molecular weight of VU0488899-1 is 364.07 g/mol.
Where can I buy VU0488899-1?
You can request a quote for VU0488899-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0488899-1?
Yes, KEHONG BIO provides custom synthesis services for VU0488899-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.