9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine
TL;DR: 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine (CAS 86120-57-2) is a chemical compound with molecular formula C14H18ClNO and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methyl-9-prop-2-enoxy-1,2,4,5-tetrahydro-3-benzazepine
Also Known As: Skf 101253, SK&F 101253, 9-Allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine, 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-(2-propenyloxy)-, 6-allyloxy-9-chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
| Molecular Formula | C14H18ClNO |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.1077 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 86120-57-2 |
|---|---|
| SMILES | CN1CCC2=C(C=CC(=C2CC1)Cl)OCC=C |
| InChIKey | CJFOJUCLYBZSAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine (CAS 86120-57-2), with molecular formula C14H18ClNO and molecular weight 251.11 g/mol. IUPAC: 6-chloro-3-methyl-9-prop-2-enoxy-1,2,4,5-tetrahydro-3-benzazepine.
Chemical Property Profile of 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine
Property Insights of 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine
The XLogP value of 3.5 indicates that 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine has 0 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 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine?
The CAS number of 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine is 86120-57-2.
What is the molecular formula of 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine?
The molecular formula of 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine is C14H18ClNO.
What is the molecular weight of 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine?
The molecular weight of 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine is 251.11 g/mol.
Where can I buy 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine?
You can request a quote for 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine?
Yes, KEHONG BIO provides custom synthesis services for 9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.