1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-
TL;DR: 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- (CAS 81094-63-5) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
Also Known As: [?]one|1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-|5,6-Dihydro-1H-1,5-methano-2,4-benzoxazocin-3-ol|1,4,5,6-tetrahydro-1,5-methano-2,4-benzoxazecin-3-one|1,5-Methano-3H-2,4-benzoxazocin-3-one,1,4,5,6-tetrahydro|1,4,5,6-TETRAHYDRO-1,5-METHANO-3H-2,4-BENZOXAZOCIN-3-ONE
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 81094-63-5 |
|---|---|
| SMILES | C1C2CC3=CC=CC=C3C1OC(=O)N2 |
| InChIKey | OCVKLYHEWYVKBU-UHFFFAOYSA-N |
Product Overview
1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- (CAS 81094-63-5), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 12-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.
Chemical Property Profile of 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-
Property Insights of 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-. With a topological polar surface area (TPSA) of 38.3 Ų, 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- 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 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-?
The CAS number of 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- is 81094-63-5.
What is the molecular formula of 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-?
The molecular formula of 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- is C11H11NO2.
What is the molecular weight of 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-?
The molecular weight of 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- is 189.08 g/mol.
Where can I buy 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-?
You can request a quote for 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Methano-3H-2,4-benzoxazocin-3-one, 1,4,5,6-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.