S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate
TL;DR: S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate (CAS 371938-44-2) is a chemical compound with molecular formula C17H13Cl2N3OS and molecular weight 377.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,6-dimethylquinazolin-2-yl) N-(3,4-dichlorophenyl)carbamothioate
Also Known As: S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate, N-(3,4-dichlorophenyl)(4,6-dimethylquinazolin-2-ylthio)carboxamide, S-(4,6-dimethylquinazolin-2-yl) N-(3,4-dichlorophenyl)carbamothioate
| Molecular Formula | C17H13Cl2N3OS |
|---|---|
| Molecular Weight | 377.02 g/mol |
| LogP | 5.87764 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.01562 |
| Heavy Atoms | 24 |
| Complexity | 946.51215 |
Chemical Identifiers
| CAS Number | 371938-44-2 |
|---|---|
| SMILES | CC1=CC2=C(N=C(N=C2C=C1)SC(=O)NC3=CC(=C(C=C3)Cl)Cl)C |
Product Overview
S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate (CAS 371938-44-2), with molecular formula C17H13Cl2N3OS and molecular weight 377.02 g/mol. IUPAC: S-(4,6-dimethylquinazolin-2-yl) N-(3,4-dichlorophenyl)carbamothioate.
Chemical Property Profile of S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate
Property Insights of S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate
The XLogP value of 5.87764 indicates that S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate has 1 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 S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate?
The CAS number of S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate is 371938-44-2.
What is the molecular formula of S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate?
The molecular formula of S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate is C17H13Cl2N3OS.
What is the molecular weight of S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate?
The molecular weight of S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate is 377.02 g/mol.
Where can I buy S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate?
You can request a quote for S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4,6-dimethylquinazolin-2-yl) (3,4-dichlorophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.