1,2,3,4-Tetrahydro-benzo(b)azepin-5-one
TL;DR: 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one (CAS 1127-74-8) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrahydro-1-benzazepin-5-one
Also Known As: 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one, 1,2,3,4-tetrahydrobenzo[b]azepin-5-one, 1,2,3,4-tetrahydro-1-benzazepin-5-one, 1,2,3,4-Tetrahydrobenzoazepine-5-one, tetrahydrobenzazepinone
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 1127-74-8 |
|---|---|
| SMILES | C1CC(=O)C2=CC=CC=C2NC1 |
| InChIKey | NKRKBYFBKLDCFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-benzo(b)azepin-5-one (CAS 1127-74-8), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 1,2,3,4-tetrahydro-1-benzazepin-5-one.
Chemical Property Profile of 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one
Property Insights of 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one has 1 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 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one?
The CAS number of 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one is 1127-74-8.
What is the molecular formula of 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one?
The molecular formula of 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one is C10H11NO.
What is the molecular weight of 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one?
The molecular weight of 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one is 161.08 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one?
You can request a quote for 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.