VU0072181-2
TL;DR: VU0072181-2 (CAS 421590-83-2) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: VU0072181-2, F3168-0122, N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide, 3-allyl-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 3.98609 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 1190.2314 |
Chemical Identifiers
| CAS Number | 421590-83-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(CCC4)C=C3)NC1=S |
Product Overview
VU0072181-2 (CAS 421590-83-2), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of VU0072181-2
Property Insights of VU0072181-2
The XLogP value of 3.98609 indicates that VU0072181-2 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 VU0072181-2. Following Lipinski's Rule of Five, VU0072181-2 has 2 hydrogen bond donor(s) and 3 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 VU0072181-2?
The CAS number of VU0072181-2 is 421590-83-2.
What is the molecular formula of VU0072181-2?
The molecular formula of VU0072181-2 is C21H19N3O2S.
What is the molecular weight of VU0072181-2?
The molecular weight of VU0072181-2 is 377.12 g/mol.
Where can I buy VU0072181-2?
You can request a quote for VU0072181-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0072181-2?
Yes, KEHONG BIO provides custom synthesis services for VU0072181-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.