VU0138878-2
TL;DR: VU0138878-2 (CAS 403718-46-7) is a chemical compound with molecular formula C24H22F3N3O2S and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide
Also Known As: VU0138878-2, F3168-0085, N-(2-(cyclohex-1-en-1-yl)ethyl)-4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-[2-(1-Cyclohexen-1-yl)ethyl]-1,2,3,4-tetrahydro-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-7-quinazolinecarboxamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C24H22F3N3O2S |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 5.68739 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.1385 |
| Heavy Atoms | 33 |
| Complexity | 1355.5422 |
Chemical Identifiers
| CAS Number | 403718-46-7 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
VU0138878-2 (CAS 403718-46-7), with molecular formula C24H22F3N3O2S and molecular weight 473.14 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide.
Chemical Property Profile of VU0138878-2
Property Insights of VU0138878-2
The XLogP value of 5.68739 indicates that VU0138878-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0138878-2. Following Lipinski's Rule of Five, VU0138878-2 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0138878-2?
The CAS number of VU0138878-2 is 403718-46-7.
What is the molecular formula of VU0138878-2?
The molecular formula of VU0138878-2 is C24H22F3N3O2S.
What is the molecular weight of VU0138878-2?
The molecular weight of VU0138878-2 is 473.14 g/mol.
Where can I buy VU0138878-2?
You can request a quote for VU0138878-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0138878-2?
Yes, KEHONG BIO provides custom synthesis services for VU0138878-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.