2,3,4,5-Tetrahydro-1-benzoxepin-5-ol
TL;DR: 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol (CAS 84499-96-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Also Known As: 2,3,4,5-tetrahydrobenzo[b]oxepin-5-ol, 2,3,4,5-tetrahydro-1-benzoxepin-5-ol, 3,4-Dihydro-2H-benzo[b]oxepin-5-ol, 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-, 2345-Tetrahydrobenzo[b]oxepin-5-ol
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 84499-96-7 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2OC1)O |
| InChIKey | OJZWTYXMABCBFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetrahydro-1-benzoxepin-5-ol (CAS 84499-96-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
Chemical Property Profile of 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol
Property Insights of 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol 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-benzoxepin-5-ol?
The CAS number of 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol is 84499-96-7.
What is the molecular formula of 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol?
The molecular formula of 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol is C10H12O2.
What is the molecular weight of 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol?
The molecular weight of 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol is 164.08 g/mol.
Where can I buy 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol?
You can request a quote for 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol 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-benzoxepin-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrahydro-1-benzoxepin-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.