2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline
TL;DR: 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline (CAS 1245-96-1) is a chemical compound with molecular formula C10H7Cl3N2 and molecular weight 259.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline
Also Known As: 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline, 2,3-Dichloro-4-(2-amino-3-chlorophenyl)pyrrole, 2,3-dichloro-4-(2-amino-3-chlorophenyl)-pyrrole, Benzenamine,2-chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)-, 2,3-Dichloro-4-(2-amino-3-chlorophenyl)-1H-pyrrole
| Molecular Formula | C10H7Cl3N2 |
|---|---|
| Molecular Weight | 259.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.96747 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 1245-96-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)N)C2=CNC(=C2Cl)Cl |
| InChIKey | BPFFQNOQBLYXCP-UHFFFAOYSA-N |
Product Overview
2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline (CAS 1245-96-1), with molecular formula C10H7Cl3N2 and molecular weight 259.97 g/mol. IUPAC: 2-chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline.
Chemical Property Profile of 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline
Property Insights of 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline
The XLogP value of 3.9 indicates that 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline has 2 hydrogen bond donor(s) and 1 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 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline?
The CAS number of 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline is 1245-96-1.
What is the molecular formula of 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline?
The molecular formula of 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline is C10H7Cl3N2.
What is the molecular weight of 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline?
The molecular weight of 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline is 259.97 g/mol.
Where can I buy 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline?
You can request a quote for 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(4,5-dichloro-1H-pyrrol-3-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.