1,3-Benzenediamine, 5-chloro-
TL;DR: 1,3-Benzenediamine, 5-chloro- (CAS 33786-89-9) is a chemical compound with molecular formula C6H7ClN2 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chlorobenzene-1,3-diamine
Also Known As: 5-Chloro-m-phenylenediamine, 5-chlorobenzene-1,3-diamine, 3,5-Diaminochlorobenzene, 5-Chloro-1,3-benzenediamine, 1,3-Benzenediamine, 5-chloro-
| Molecular Formula | C6H7ClN2 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02977 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 33786-89-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1N)Cl)N |
| InChIKey | VZNUCJOYPXKLTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediamine, 5-chloro- (CAS 33786-89-9), with molecular formula C6H7ClN2 and molecular weight 142.03 g/mol. IUPAC: 5-chlorobenzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, 5-chloro-
Property Insights of 1,3-Benzenediamine, 5-chloro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, 5-chloro-. With a topological polar surface area (TPSA) of 52.0 Ų, 1,3-Benzenediamine, 5-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediamine, 5-chloro- 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 1,3-Benzenediamine, 5-chloro-?
The CAS number of 1,3-Benzenediamine, 5-chloro- is 33786-89-9.
What is the molecular formula of 1,3-Benzenediamine, 5-chloro-?
The molecular formula of 1,3-Benzenediamine, 5-chloro- is C6H7ClN2.
What is the molecular weight of 1,3-Benzenediamine, 5-chloro-?
The molecular weight of 1,3-Benzenediamine, 5-chloro- is 142.03 g/mol.
Where can I buy 1,3-Benzenediamine, 5-chloro-?
You can request a quote for 1,3-Benzenediamine, 5-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, 5-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, 5-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.