4,4'-Methylene-bis(2-chloroaniline) hydrochloride
TL;DR: 4,4'-Methylene-bis(2-chloroaniline) hydrochloride (CAS 64049-29-2) is a chemical compound with molecular formula C13H13Cl3N2 and molecular weight 302.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-amino-3-chlorophenyl)methyl]-2-chlorophenyl]azanium chloride
Also Known As: 4,4'-Methylene-bis(2-chloroaniline) hydrochloride, 4,4'-Methylene-bis(2-chloroaniline).2HCl, 4,4'-Methylenebis(2-chloroanaline) dihydrochloride, ANILINE, 4,4'-METHYLENEBIS(2-CHLORO-, HYDROCHLORIDE, 4,4'-methylenebis(2-chloroaniline) dihydrochloride
| Molecular Formula | C13H13Cl3N2 |
|---|---|
| Molecular Weight | 302.01 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.01443 |
| Heavy Atoms | 18 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 64049-29-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)[NH3+].[Cl-] |
| InChIKey | XLQJBBWGIDGYQI-UHFFFAOYSA-N |
Product Overview
4,4'-Methylene-bis(2-chloroaniline) hydrochloride (CAS 64049-29-2), with molecular formula C13H13Cl3N2 and molecular weight 302.01 g/mol. IUPAC: [4-[(4-amino-3-chlorophenyl)methyl]-2-chlorophenyl]azanium chloride.
Chemical Property Profile of 4,4'-Methylene-bis(2-chloroaniline) hydrochloride
Property Insights of 4,4'-Methylene-bis(2-chloroaniline) hydrochloride
The XLogP value of 0.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Methylene-bis(2-chloroaniline) hydrochloride. With a topological polar surface area (TPSA) of 53.7 Ų, 4,4'-Methylene-bis(2-chloroaniline) hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Methylene-bis(2-chloroaniline) hydrochloride 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 4,4'-Methylene-bis(2-chloroaniline) hydrochloride?
The CAS number of 4,4'-Methylene-bis(2-chloroaniline) hydrochloride is 64049-29-2.
What is the molecular formula of 4,4'-Methylene-bis(2-chloroaniline) hydrochloride?
The molecular formula of 4,4'-Methylene-bis(2-chloroaniline) hydrochloride is C13H13Cl3N2.
What is the molecular weight of 4,4'-Methylene-bis(2-chloroaniline) hydrochloride?
The molecular weight of 4,4'-Methylene-bis(2-chloroaniline) hydrochloride is 302.01 g/mol.
Where can I buy 4,4'-Methylene-bis(2-chloroaniline) hydrochloride?
You can request a quote for 4,4'-Methylene-bis(2-chloroaniline) hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylene-bis(2-chloroaniline) hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylene-bis(2-chloroaniline) hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.