3,3'-dimethyl-N-acetylbenzidine
TL;DR: 3,3'-dimethyl-N-acetylbenzidine (CAS 3546-13-2) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]acetamide
Also Known As: 3,3'-Dimethyl-N-acetylbenzidine, N-Acetyl-3,3'-dimethylbenzidine, Heptadecanoyl-coenzyme A, 0-13-00-00258 (Beilstein Handbook Reference), Acetamide, N-(4'-amino-3,3'-dimethyl(1,1'-biphenyl)-4-yl)-
| Molecular Formula | C16H18N2O |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.1419 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 3546-13-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C)C)N |
| InChIKey | GHTBEGLKAXDXCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-dimethyl-N-acetylbenzidine (CAS 3546-13-2), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]acetamide.
Chemical Property Profile of 3,3'-dimethyl-N-acetylbenzidine
Property Insights of 3,3'-dimethyl-N-acetylbenzidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-dimethyl-N-acetylbenzidine. With a topological polar surface area (TPSA) of 55.1 Ų, 3,3'-dimethyl-N-acetylbenzidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-dimethyl-N-acetylbenzidine 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 3,3'-dimethyl-N-acetylbenzidine?
The CAS number of 3,3'-dimethyl-N-acetylbenzidine is 3546-13-2.
What is the molecular formula of 3,3'-dimethyl-N-acetylbenzidine?
The molecular formula of 3,3'-dimethyl-N-acetylbenzidine is C16H18N2O.
What is the molecular weight of 3,3'-dimethyl-N-acetylbenzidine?
The molecular weight of 3,3'-dimethyl-N-acetylbenzidine is 254.14 g/mol.
Where can I buy 3,3'-dimethyl-N-acetylbenzidine?
You can request a quote for 3,3'-dimethyl-N-acetylbenzidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-dimethyl-N-acetylbenzidine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-dimethyl-N-acetylbenzidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.