VU0511316-1
TL;DR: VU0511316-1 (CAS 893787-68-3) is a chemical compound with molecular formula C21H22ClN3OS and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-methylphenyl)-2-spiro[1H-quinazoline-2,1'-cyclopentane]-4-ylsulfanylacetamide
Also Known As: VU0511316-1, F3165-1014, N-(2-chloro-4-methylphenyl)-2-{1'H-spiro[cyclopentane-1,2'-quinazoline]sulfanyl}acetamide, N-(2-chloro-4-methylphenyl)-2-spiro[1H-quinazoline-2,1'-cyclopentane]-4-ylsulfanylacetamide, 2-((1'H-spiro[cyclopentane-1,2'-quinazolin]-4'-yl)thio)-N-(2-chloro-4-methylphenyl)acetamide
| Molecular Formula | C21H22ClN3OS |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 5.46272 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.11722 |
| Heavy Atoms | 27 |
| Complexity | 906.0498 |
Chemical Identifiers
| CAS Number | 893787-68-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NC3(CCCC3)NC4=CC=CC=C42)Cl |
Product Overview
VU0511316-1 (CAS 893787-68-3), with molecular formula C21H22ClN3OS and molecular weight 399.12 g/mol. IUPAC: N-(2-chloro-4-methylphenyl)-2-spiro[1H-quinazoline-2,1'-cyclopentane]-4-ylsulfanylacetamide.
Chemical Property Profile of VU0511316-1
Property Insights of VU0511316-1
The XLogP value of 5.46272 indicates that VU0511316-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.49 Ų, VU0511316-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0511316-1 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0511316-1?
The CAS number of VU0511316-1 is 893787-68-3.
What is the molecular formula of VU0511316-1?
The molecular formula of VU0511316-1 is C21H22ClN3OS.
What is the molecular weight of VU0511316-1?
The molecular weight of VU0511316-1 is 399.12 g/mol.
Where can I buy VU0511316-1?
You can request a quote for VU0511316-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0511316-1?
Yes, KEHONG BIO provides custom synthesis services for VU0511316-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.