6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine
TL;DR: 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine (CAS 180160-89-8) is a chemical compound with molecular formula C10H11Cl2N and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine
Also Known As: 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine, 1H-3-Benzazepine, 6,7-dichloro-2,3,4,5-tetrahydro-, 6,7-Bis(chloranyl)-2,3,4,5-tetrahydro-1H-3-benzazepine, 6,7-dichloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine, 10,11-dichloro-4-azabicyclo[5.4.0]undeca-8,10,12-triene
| Molecular Formula | C10H11Cl2N |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 2.6816 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.02686 |
| Heavy Atoms | 13 |
| Complexity | 322.94595 |
Chemical Identifiers
| CAS Number | 180160-89-8 |
|---|---|
| SMILES | C1CNCCC2=C1C=CC(=C2Cl)Cl |
Product Overview
6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine (CAS 180160-89-8), with molecular formula C10H11Cl2N and molecular weight 215.03 g/mol. IUPAC: 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine.
Chemical Property Profile of 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine
Property Insights of 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine
The XLogP value of 2.6816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine. With a topological polar surface area (TPSA) of 12.03 Ų, 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine has 1 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 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The CAS number of 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine is 180160-89-8.
What is the molecular formula of 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The molecular formula of 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine is C10H11Cl2N.
What is the molecular weight of 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine?
The molecular weight of 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine is 215.03 g/mol.
Where can I buy 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine?
You can request a quote for 6,7-dichloro-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 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dichloro-2,3,4,5-tetrahydro-1H-3-benzazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.