![ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate structure](/static/products/3178/317833-19-5.webp)
ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate
TL;DR: ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate (CAS 317833-19-5) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene-16-carboxylate
Also Known As: ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.2932 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 729.6708 |
Chemical Identifiers
| CAS Number | 317833-19-5 |
|---|---|
| SMILES | CCOC(=O)N1[C@@H]2[C@H](COC3=C2C4=CC=CC=C4C=C3)CO1 |
Product Overview
ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate (CAS 317833-19-5), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: ethyl (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene-16-carboxylate.
Chemical Property Profile of ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate
Property Insights of ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate
The XLogP value of 3.2932 indicates that ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate has 0 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 ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate?
The CAS number of ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate is 317833-19-5.
What is the molecular formula of ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate?
The molecular formula of ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate is C17H17NO4.
What is the molecular weight of ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate?
The molecular weight of ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate is 299.12 g/mol.
Where can I buy ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate?
You can request a quote for ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazole-1(4H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.