Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-
TL;DR: Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- (CAS 23453-39-6) is a chemical compound with molecular formula C6H6BClF3N and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroaniline;trifluoroborane
Also Known As: 3-chloroaniline; trifluoroborane, Boron trifluoride 3-chloroaniline complex, 3-chloroaniline- trifluoroborane(1:1), [(m-chlorophenyl)amine]trifluoroboron, ((m-Chlorophenyl)amine)trifluoroboron
| Molecular Formula | C6H6BClF3N |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.02339 |
| Heavy Atoms | 12 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 23453-39-6 |
|---|---|
| SMILES | B(F)(F)F.C1=CC(=CC(=C1)Cl)N |
| InChIKey | CNIMITAIGXQQGX-UHFFFAOYSA-N |
Product Overview
Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- (CAS 23453-39-6), with molecular formula C6H6BClF3N and molecular weight 195.02 g/mol. IUPAC: 3-chloroaniline;trifluoroborane.
Chemical Property Profile of Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-
Property Insights of Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-. With a topological polar surface area (TPSA) of 26.0 Ų, Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- has 1 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 Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-?
The CAS number of Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- is 23453-39-6.
What is the molecular formula of Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-?
The molecular formula of Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- is C6H6BClF3N.
What is the molecular weight of Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-?
The molecular weight of Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- is 195.02 g/mol.
Where can I buy Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-?
You can request a quote for Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)-?
Yes, KEHONG BIO provides custom synthesis services for Boron, (3-chlorobenzenamine-kappaN)trifluoro-, (T-4)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.