5-Chloro-N-phenylbenzene-1,2-diamine
TL;DR: 5-Chloro-N-phenylbenzene-1,2-diamine (CAS 68406-47-3) is a chemical compound with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-N-phenylbenzene-1,2-diamine
Also Known As: 5-Chloro-N-phenylbenzene-1,2-diamine, 5-CHLORO-N1-PHENYLBENZENE-1,2-DIAMINE, 4-chloro-2-N-phenylbenzene-1,2-diamine, EINECS 270-052-9, Diphenylamine, 2-amino-5-chloro
| Molecular Formula | C12H11ClN2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06108 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 68406-47-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)N |
| InChIKey | YRPYUECFYIYBGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-N-phenylbenzene-1,2-diamine (CAS 68406-47-3), with molecular formula C12H11ClN2 and molecular weight 218.06 g/mol. IUPAC: 4-chloro-2-N-phenylbenzene-1,2-diamine.
Chemical Property Profile of 5-Chloro-N-phenylbenzene-1,2-diamine
Property Insights of 5-Chloro-N-phenylbenzene-1,2-diamine
The XLogP value of 3.4 indicates that 5-Chloro-N-phenylbenzene-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, 5-Chloro-N-phenylbenzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-N-phenylbenzene-1,2-diamine 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 5-Chloro-N-phenylbenzene-1,2-diamine?
The CAS number of 5-Chloro-N-phenylbenzene-1,2-diamine is 68406-47-3.
What is the molecular formula of 5-Chloro-N-phenylbenzene-1,2-diamine?
The molecular formula of 5-Chloro-N-phenylbenzene-1,2-diamine is C12H11ClN2.
What is the molecular weight of 5-Chloro-N-phenylbenzene-1,2-diamine?
The molecular weight of 5-Chloro-N-phenylbenzene-1,2-diamine is 218.06 g/mol.
Where can I buy 5-Chloro-N-phenylbenzene-1,2-diamine?
You can request a quote for 5-Chloro-N-phenylbenzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-N-phenylbenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-N-phenylbenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.