2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione
TL;DR: 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione (CAS 663167-17-7) is a chemical compound with molecular formula C20H17ClN2O2S and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-3-(4-chlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: 2-(4-CHLOROPHENYL)-3-BENZYL-1,2,3-TRIHYDRO-4-THIAQUINAZOLINE-4,4-DIONE, 2-benzyl-3-(4-chlorophenyl)-3,4-dihydro-1, 2-benzyl-3-(4-chlorophenyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide, 2-benzyl-3-(4-chlorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 2-benzyl-3-(4-chlorophenyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1-dione
| Molecular Formula | C20H17ClN2O2S |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 4.6552 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.06992 |
| Heavy Atoms | 26 |
| Complexity | 1021.1915 |
Chemical Identifiers
| CAS Number | 663167-17-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione (CAS 663167-17-7), with molecular formula C20H17ClN2O2S and molecular weight 384.07 g/mol. IUPAC: 2-benzyl-3-(4-chlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione
Property Insights of 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione
The XLogP value of 4.6552 indicates that 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione has 1 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 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione?
The CAS number of 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione is 663167-17-7.
What is the molecular formula of 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione?
The molecular formula of 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione is C20H17ClN2O2S.
What is the molecular weight of 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione?
The molecular weight of 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione is 384.07 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione?
You can request a quote for 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-benzyl-1,2,3-trihydro-4-thiaquinazoline-4,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.