![1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole structure](/static/products/1887/188726-76-3.webp)
1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole
TL;DR: 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole (CAS 188726-76-3) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
Also Known As: 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole, 11,15-dioxa-16-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(10),2(7),3,5,8-pentaene, 11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene, 1,3a,4,11c-Tetrahydro-3H-benzo5,6chromeno4,3-cisoxazole, 11,15-dioxa-16-azatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2,4,6,8-pentaene
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.4243 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 581.444 |
Chemical Identifiers
| CAS Number | 188726-76-3 |
|---|---|
| SMILES | C1C2CONC2C3=C(O1)C=CC4=CC=CC=C43 |
Product Overview
1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole (CAS 188726-76-3), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene.
Chemical Property Profile of 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole
Property Insights of 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole
The XLogP value of 2.4243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole. With a topological polar surface area (TPSA) of 30.49 Ų, 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole has 1 hydrogen bond donor(s) and 3 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 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole?
The CAS number of 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole is 188726-76-3.
What is the molecular formula of 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole?
The molecular formula of 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole is C14H13NO2.
What is the molecular weight of 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole?
The molecular weight of 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole is 227.09 g/mol.
Where can I buy 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole?
You can request a quote for 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.