3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine
TL;DR: 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine (CAS 689746-13-2) is a chemical compound with molecular formula C16H14ClN3 and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine
Also Known As: ChemDiv3_006241, IDI1_024151, 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine, 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine, 3-(4-chlorophenyl)-4-methyl-3H-benzo[b][1,4]diazepin-2-amine
| Molecular Formula | C16H14ClN3 |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 4.2185 |
| Topological Polar Surface Area | 50.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.08762 |
| Heavy Atoms | 20 |
| Complexity | 662.9169 |
Chemical Identifiers
| CAS Number | 689746-13-2 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N=C(C1C3=CC=C(C=C3)Cl)N |
Product Overview
3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine (CAS 689746-13-2), with molecular formula C16H14ClN3 and molecular weight 283.09 g/mol. IUPAC: 3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-amine.
Chemical Property Profile of 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine
Property Insights of 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine
The XLogP value of 4.2185 indicates that 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.74 Ų, 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine has 1 hydrogen bond donor(s) and 3 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-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine?
The CAS number of 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine is 689746-13-2.
What is the molecular formula of 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine?
The molecular formula of 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine is C16H14ClN3.
What is the molecular weight of 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine?
The molecular weight of 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine is 283.09 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine?
You can request a quote for 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-methyl-3H-1,5-benzodiazepin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.