S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate
TL;DR: S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate (CAS 371127-21-8) is a chemical compound with molecular formula C22H15ClN2O2S and molecular weight 406.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate
Also Known As: S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate, 6-chloro-4-phenylquinazolin-2-ylthio 3-methoxyphenyl ketone, S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzothioate, [(6-CHLORO-4-PHENYLQUINAZOLIN-2-YL)SULFANYL](3-METHOXYPHENYL)METHANONE
| Molecular Formula | C22H15ClN2O2S |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 5.8913 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0543 |
| Heavy Atoms | 28 |
| Complexity | 1165.7625 |
Chemical Identifiers
| CAS Number | 371127-21-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)SC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4 |
Product Overview
S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate (CAS 371127-21-8), with molecular formula C22H15ClN2O2S and molecular weight 406.05 g/mol. IUPAC: S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate.
Chemical Property Profile of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate
Property Insights of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate
The XLogP value of 5.8913 indicates that S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate?
The CAS number of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate is 371127-21-8.
What is the molecular formula of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate?
The molecular formula of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate is C22H15ClN2O2S.
What is the molecular weight of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate?
The molecular weight of S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate is 406.05 g/mol.
Where can I buy S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate?
You can request a quote for S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.