8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol
TL;DR: 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol (CAS 71007-79-9) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
Also Known As: 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol, 8-Methoxy-5,6-dihydro-4H-benzo[3,4]cyclohepta[1,2-d]isoxazol-9-ol, 4H-BENZO(3,4)CYCLOHEPT(1,2-D)ISOXAZOL-9-OL, 5,6-DIHYDRO-8-METHOXY-, 8-methoxy-5,6-dihydro-4H-benzo[1,2]cyclohepta[3,4-c][1,2]oxa, 4H-Benzo[3,4]cyclohept[1,2-d]isoxazol-9-ol, 5,6-dihydro-8-methoxy-
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 71007-79-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCCC3=C2ON=C3)O |
| InChIKey | UFYXVFXZURHFLB-UHFFFAOYSA-N |
Product Overview
8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol (CAS 71007-79-9), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol.
Chemical Property Profile of 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol
Property Insights of 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol. With a topological polar surface area (TPSA) of 55.5 Ų, 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol has 1 hydrogen bond donor(s) and 4 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 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol?
The CAS number of 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol is 71007-79-9.
What is the molecular formula of 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol?
The molecular formula of 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol is C13H13NO3.
What is the molecular weight of 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol?
The molecular weight of 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol is 231.09 g/mol.
Where can I buy 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol?
You can request a quote for 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol?
Yes, KEHONG BIO provides custom synthesis services for 8-Methoxy-5,6-dihydro-4H-benzo(3,4)cyclohepta(1,2-d)isoxazol-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.