![3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone structure](/static/products/3178/317833-20-8.webp)
3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone
TL;DR: 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone (CAS 317833-20-8) is a chemical compound with molecular formula C25H18ClFN2O4 and molecular weight 464.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl]methanone
Also Known As: 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone
| Molecular Formula | C25H18ClFN2O4 |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 5.73302 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.0939 |
| Heavy Atoms | 33 |
| Complexity | 1398.8068 |
Chemical Identifiers
| CAS Number | 317833-20-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3[C@@H]4[C@H](COC5=C4C6=CC=CC=C6C=C5)CO3 |
Product Overview
3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone (CAS 317833-20-8), with molecular formula C25H18ClFN2O4 and molecular weight 464.09 g/mol. IUPAC: [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl]methanone.
Chemical Property Profile of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone
Property Insights of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone
The XLogP value of 5.73302 indicates that 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone. Following Lipinski's Rule of Five, 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone?
The CAS number of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone is 317833-20-8.
What is the molecular formula of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone?
The molecular formula of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone is C25H18ClFN2O4.
What is the molecular weight of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone?
The molecular weight of 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone is 464.09 g/mol.
Where can I buy 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone?
You can request a quote for 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for 3a,11c-dihydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1(4H)-yl[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.