N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
TL;DR: N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CAS 616201-91-3) is a chemical compound with molecular formula C12H16ClN and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
Also Known As: 1H-3-Benzazepine,8-chloro-2,3,4,5-tetrahydro-1,3-dimethyl-, 10-chloro-2,4-dimethyl-4-azabicyclo[5.4.0]undeca-8,10,12-triene, N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
| Molecular Formula | C12H16ClN |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.9314 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.09712 |
| Heavy Atoms | 14 |
| Complexity | 335.09366 |
Chemical Identifiers
| CAS Number | 616201-91-3 |
|---|---|
| SMILES | CC1CN(CCC2=C1C=C(C=C2)Cl)C |
Product Overview
N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CAS 616201-91-3), with molecular formula C12H16ClN and molecular weight 209.10 g/mol. IUPAC: 7-chloro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine.
Chemical Property Profile of N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Property Insights of N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
The XLogP value of 2.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine. With a topological polar surface area (TPSA) of 3.24 Ų, N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has 0 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 N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The CAS number of N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is 616201-91-3.
What is the molecular formula of N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The molecular formula of N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is C12H16ClN.
What is the molecular weight of N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The molecular weight of N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is 209.10 g/mol.
Where can I buy N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
You can request a quote for N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.