8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
TL;DR: 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine (CAS 71274-97-0) 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.
8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
Also Known As: 1n7i, Disodium glycyrrhizate, 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine, Lilly 134046, tetrahydrobenzazepine (THBA) deriv.
| Molecular Formula | C10H11Cl2N |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.02686 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 71274-97-0 |
|---|---|
| SMILES | C1CC2=C(CNC1)C(=C(C=C2)Cl)Cl |
| InChIKey | IADAQXMUWITWNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine (CAS 71274-97-0), with molecular formula C10H11Cl2N and molecular weight 215.03 g/mol. IUPAC: 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine.
Chemical Property Profile of 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
Property Insights of 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine. With a topological polar surface area (TPSA) of 12.0 Ų, 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-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 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The CAS number of 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine is 71274-97-0.
What is the molecular formula of 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The molecular formula of 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine is C10H11Cl2N.
What is the molecular weight of 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine?
The molecular weight of 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine is 215.03 g/mol.
Where can I buy 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine?
You can request a quote for 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine?
Yes, KEHONG BIO provides custom synthesis services for 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.