T0400-3816
TL;DR: T0400-3816 (CAS 71601-85-9) is a chemical compound with molecular formula C9H2ClF9O6S3 and molecular weight 507.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3,5-tris(trifluoromethylsulfonyl)benzene
Also Known As: 2-chloro-1,3,5-tris(trifluoromethylsulfonyl)benzene, 2-Chloro-1,3,5-tris-trifluoromethanesulfonylbenzene, 1-Chloro-2,4,6-tris(trifluoromethylsulfonyl)benzene, Benzene, 2-chloro-1,3,5-tris[(trifluoromethyl)sulfonyl]-, 2,4,6-tris(trifluoromethylsulphonyl)chlorobenzene
| Molecular Formula | C9H2ClF9O6S3 |
|---|---|
| Molecular Weight | 507.86 g/mol |
| LogP | 3.2205 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 507.85583 |
| Heavy Atoms | 28 |
| Complexity | 1046.318 |
Chemical Identifiers
| CAS Number | 71601-85-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1S(=O)(=O)C(F)(F)F)Cl)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
Product Overview
T0400-3816 (CAS 71601-85-9), with molecular formula C9H2ClF9O6S3 and molecular weight 507.86 g/mol. IUPAC: 2-chloro-1,3,5-tris(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of T0400-3816
Property Insights of T0400-3816
The XLogP value of 3.2205 indicates that T0400-3816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for T0400-3816. Following Lipinski's Rule of Five, T0400-3816 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of T0400-3816?
The CAS number of T0400-3816 is 71601-85-9.
What is the molecular formula of T0400-3816?
The molecular formula of T0400-3816 is C9H2ClF9O6S3.
What is the molecular weight of T0400-3816?
The molecular weight of T0400-3816 is 507.86 g/mol.
Where can I buy T0400-3816?
You can request a quote for T0400-3816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T0400-3816?
Yes, KEHONG BIO provides custom synthesis services for T0400-3816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.