![1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone structure](/static/products/4778/477853-77-3.webp)
1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone
TL;DR: 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone (CAS 477853-77-3) is a chemical compound with molecular formula C16H14ClNO3 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)ethanone
Also Known As: 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone, 11F-918, 2-chloro-1-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)ethanone, 2-chloro-1-{11,15-dioxa-16-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(10),2(7),3,5,8-pentaen-16-yl}ethan-1-one, 1-[3a,11c-Dihydro-3H-benzo[5,6]chromeno[4,3-c] isoxazol-1(4H)-yl]-2-chloro-1-ethanone
| Molecular Formula | C16H14ClNO3 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 2.9021 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.06622 |
| Heavy Atoms | 21 |
| Complexity | 717.7344 |
Chemical Identifiers
| CAS Number | 477853-77-3 |
|---|---|
| SMILES | C1C2CON(C2C3=C(O1)C=CC4=CC=CC=C43)C(=O)CCl |
Product Overview
1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone (CAS 477853-77-3), with molecular formula C16H14ClNO3 and molecular weight 303.07 g/mol. IUPAC: 2-chloro-1-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)ethanone.
Chemical Property Profile of 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone
Property Insights of 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone
The XLogP value of 2.9021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone. With a topological polar surface area (TPSA) of 38.77 Ų, 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone has 0 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,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone?
The CAS number of 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone is 477853-77-3.
What is the molecular formula of 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone?
The molecular formula of 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone is C16H14ClNO3.
What is the molecular weight of 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone?
The molecular weight of 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone is 303.07 g/mol.
Where can I buy 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone?
You can request a quote for 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl]-2-chloro-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.