3,4,5-三氯苯-1,2-二胺
TL;DR: 3,4,5-三氯苯-1,2-二胺 (CAS 30064-28-9) is a chemical compound with molecular formula C6H5Cl3N2 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-三氯苯-1,2-二胺
3,4,5-trichlorobenzene-1,2-diamine
Also Known As: 3,4,5-Trichlorobenzene-1,2-diamine, Clc1c(Cl)cc(N)c(N)c1Cl, 3,4,5-Trichloro-1,2-phenylenediamine, 3,4,5-Trichloro-1,2-benzenediamine, 1,2-Benzenediamine,3,4,5-trichloro-
| Molecular Formula | C6H5Cl3N2 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.95183 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 30064-28-9 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)N)N |
| InChIKey | ZFDILXLUXPRASO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-三氯苯-1,2-二胺 (CAS 30064-28-9), with molecular formula C6H5Cl3N2 and molecular weight 209.95 g/mol. IUPAC: 3,4,5-trichlorobenzene-1,2-diamine.
Chemical Property Profile of 3,4,5-三氯苯-1,2-二胺
Property Insights of 3,4,5-三氯苯-1,2-二胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-三氯苯-1,2-二胺. With a topological polar surface area (TPSA) of 52.0 Ų, 3,4,5-三氯苯-1,2-二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-三氯苯-1,2-二胺 has 2 hydrogen bond donor(s) and 2 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 3,4,5-三氯苯-1,2-二胺?
The CAS number of 3,4,5-三氯苯-1,2-二胺 is 30064-28-9.
What is the molecular formula of 3,4,5-三氯苯-1,2-二胺?
The molecular formula of 3,4,5-三氯苯-1,2-二胺 is C6H5Cl3N2.
What is the molecular weight of 3,4,5-三氯苯-1,2-二胺?
The molecular weight of 3,4,5-三氯苯-1,2-二胺 is 209.95 g/mol.
Where can I buy 3,4,5-三氯苯-1,2-二胺?
You can request a quote for 3,4,5-三氯苯-1,2-二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-三氯苯-1,2-二胺?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-三氯苯-1,2-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.