2,3,4,5-Tetrahydro-1,5-benzoxazepine
TL;DR: 2,3,4,5-Tetrahydro-1,5-benzoxazepine (CAS 3693-06-9) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrahydro-1,5-benzoxazepine
Also Known As: 2,3,4,5-Tetrahydro-1,5-benzoxazepine, 2,3,4,5-tetrahydrobenzo[b][1,4]oxazepine, 1,5-Benzoxazepine, 2,3,4,5-tetrahydro-, HYLJXJSMGIOVIK-UHFFFAOYSA-, 1,3,4,5-Tetrahydro-5-oxa-benzo[b]azepine
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 3693-06-9 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2OC1 |
| InChIKey | HYLJXJSMGIOVIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetrahydro-1,5-benzoxazepine (CAS 3693-06-9), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 2,3,4,5-tetrahydro-1,5-benzoxazepine.
Chemical Property Profile of 2,3,4,5-Tetrahydro-1,5-benzoxazepine
Property Insights of 2,3,4,5-Tetrahydro-1,5-benzoxazepine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrahydro-1,5-benzoxazepine. With a topological polar surface area (TPSA) of 21.3 Ų, 2,3,4,5-Tetrahydro-1,5-benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrahydro-1,5-benzoxazepine 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 2,3,4,5-Tetrahydro-1,5-benzoxazepine?
The CAS number of 2,3,4,5-Tetrahydro-1,5-benzoxazepine is 3693-06-9.
What is the molecular formula of 2,3,4,5-Tetrahydro-1,5-benzoxazepine?
The molecular formula of 2,3,4,5-Tetrahydro-1,5-benzoxazepine is C9H11NO.
What is the molecular weight of 2,3,4,5-Tetrahydro-1,5-benzoxazepine?
The molecular weight of 2,3,4,5-Tetrahydro-1,5-benzoxazepine is 149.08 g/mol.
Where can I buy 2,3,4,5-Tetrahydro-1,5-benzoxazepine?
You can request a quote for 2,3,4,5-Tetrahydro-1,5-benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrahydro-1,5-benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrahydro-1,5-benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.