VU0138824-2
TL;DR: VU0138824-2 (CAS 361475-04-9) is a chemical compound with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
Also Known As: VU0138824-2, F3168-0068, Methyl 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate, methyl 3-(3-bromobenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, 3-(3-Bromo-benzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid methyl ester
| Molecular Formula | C17H13BrN2O3S |
|---|---|
| Molecular Weight | 403.98 g/mol |
| LogP | 3.65649 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.98303 |
| Heavy Atoms | 24 |
| Complexity | 1055.6204 |
Chemical Identifiers
| CAS Number | 361475-04-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC(=CC=C3)Br |
Product Overview
VU0138824-2 (CAS 361475-04-9), with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol. IUPAC: methyl 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate.
Chemical Property Profile of VU0138824-2
Property Insights of VU0138824-2
The XLogP value of 3.65649 indicates that VU0138824-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0138824-2. Following Lipinski's Rule of Five, VU0138824-2 has 1 hydrogen bond donor(s) and 4 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 VU0138824-2?
The CAS number of VU0138824-2 is 361475-04-9.
What is the molecular formula of VU0138824-2?
The molecular formula of VU0138824-2 is C17H13BrN2O3S.
What is the molecular weight of VU0138824-2?
The molecular weight of VU0138824-2 is 403.98 g/mol.
Where can I buy VU0138824-2?
You can request a quote for VU0138824-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0138824-2?
Yes, KEHONG BIO provides custom synthesis services for VU0138824-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.