4,4'-Diamino-3,3'-dimethyldiphenylmethane
TL;DR: 4,4'-Diamino-3,3'-dimethyldiphenylmethane (CAS 838-88-0) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
Also Known As: 4,4'-Methylenebis(2-methylaniline), 4,4'-Diamino-3,3'-dimethyldiphenylmethane, MBOT, ME-Mda, 4,4'-Methylenedi-o-toluidine
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
| Solubility | >33.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 838-88-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N |
| InChIKey | WECDUOXQLAIPQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Diamino-3,3'-dimethyldiphenylmethane (CAS 838-88-0), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline.
Chemical Property Profile of 4,4'-Diamino-3,3'-dimethyldiphenylmethane
Property Insights of 4,4'-Diamino-3,3'-dimethyldiphenylmethane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Diamino-3,3'-dimethyldiphenylmethane. With a topological polar surface area (TPSA) of 52.0 Ų, 4,4'-Diamino-3,3'-dimethyldiphenylmethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Diamino-3,3'-dimethyldiphenylmethane 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'-Diamino-3,3'-dimethyldiphenylmethane?
The CAS number of 4,4'-Diamino-3,3'-dimethyldiphenylmethane is 838-88-0.
What is the molecular formula of 4,4'-Diamino-3,3'-dimethyldiphenylmethane?
The molecular formula of 4,4'-Diamino-3,3'-dimethyldiphenylmethane is C15H18N2.
What is the molecular weight of 4,4'-Diamino-3,3'-dimethyldiphenylmethane?
The molecular weight of 4,4'-Diamino-3,3'-dimethyldiphenylmethane is 226.15 g/mol.
Where can I buy 4,4'-Diamino-3,3'-dimethyldiphenylmethane?
You can request a quote for 4,4'-Diamino-3,3'-dimethyldiphenylmethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Diamino-3,3'-dimethyldiphenylmethane?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Diamino-3,3'-dimethyldiphenylmethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.