C17H12ClN3O2S
TL;DR: C17H12ClN3O2S (CAS 522652-50-2) is a chemical compound with molecular formula C17H12ClN3O2S and molecular weight 357.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-7,8-dimethyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
Also Known As: 3-(3-chlorophenyl)-7,8-dimethyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione, A3456/0146725, 3-(3-chlorophenyl)-7,8-dimethyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione, 3-(3-chlorophenyl)-7,8-dimethyl-2H-benzo[4,5]thiazolo[3,2-a][1,3,5]triazine-2,4(3H)-dione
| Molecular Formula | C17H12ClN3O2S |
|---|---|
| Molecular Weight | 357.03 g/mol |
| LogP | 3.33034 |
| Topological Polar Surface Area | 56.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.03387 |
| Heavy Atoms | 24 |
| Complexity | 1236.516 |
Chemical Identifiers
| CAS Number | 522652-50-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC3=NC(=O)N(C(=O)N23)C4=CC(=CC=C4)Cl |
Product Overview
C17H12ClN3O2S (CAS 522652-50-2), with molecular formula C17H12ClN3O2S and molecular weight 357.03 g/mol. IUPAC: 3-(3-chlorophenyl)-7,8-dimethyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
Chemical Property Profile of C17H12ClN3O2S
Property Insights of C17H12ClN3O2S
The XLogP value of 3.33034 indicates that C17H12ClN3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.37 Ų, C17H12ClN3O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H12ClN3O2S has 0 hydrogen bond donor(s) and 4 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 C17H12ClN3O2S?
The CAS number of C17H12ClN3O2S is 522652-50-2.
What is the molecular formula of C17H12ClN3O2S?
The molecular formula of C17H12ClN3O2S is C17H12ClN3O2S.
What is the molecular weight of C17H12ClN3O2S?
The molecular weight of C17H12ClN3O2S is 357.03 g/mol.
Where can I buy C17H12ClN3O2S?
You can request a quote for C17H12ClN3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H12ClN3O2S?
Yes, KEHONG BIO provides custom synthesis services for C17H12ClN3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.