VU0499698-1
TL;DR: VU0499698-1 (CAS 900002-65-5) is a chemical compound with molecular formula C20H25N3O4S and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
Also Known As: VU0499698-1, F2800-0106, ethyl 4-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate, ethyl 4-((2-((4-butylphenyl)amino)-2-oxoethyl)thio)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 4-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
| Molecular Formula | C20H25N3O4S |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 3.32842 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 403.1566 |
| Heavy Atoms | 28 |
| Complexity | 878.0098 |
Chemical Identifiers
| CAS Number | 900002-65-5 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2C(=O)OCC)C |
Product Overview
VU0499698-1 (CAS 900002-65-5), with molecular formula C20H25N3O4S and molecular weight 403.16 g/mol. IUPAC: ethyl 4-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of VU0499698-1
Property Insights of VU0499698-1
The XLogP value of 3.32842 indicates that VU0499698-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0499698-1. Following Lipinski's Rule of Five, VU0499698-1 has 2 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 VU0499698-1?
The CAS number of VU0499698-1 is 900002-65-5.
What is the molecular formula of VU0499698-1?
The molecular formula of VU0499698-1 is C20H25N3O4S.
What is the molecular weight of VU0499698-1?
The molecular weight of VU0499698-1 is 403.16 g/mol.
Where can I buy VU0499698-1?
You can request a quote for VU0499698-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0499698-1?
Yes, KEHONG BIO provides custom synthesis services for VU0499698-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.