7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole
TL;DR: 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole (CAS 57897-29-7) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8,9-trimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
Also Known As: 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole, imidazo[1,2-a]pyridin-2-yl-acetonitrile, 7,8,9-trimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole, 4,5-DIHYDRO-7,8,9-TRIMETHOXYNAPHTH(1,2-D)ISOXAZOLE, 4,5-DIHYDRO-7,8,9-TRIMETHOXYNAPHTH(2,1-D)ISOXAZOLE
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 57897-29-7 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CCC3=C2ON=C3)OC)OC |
| InChIKey | QWCNEFHVRYRXBR-UHFFFAOYSA-N |
Product Overview
7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole (CAS 57897-29-7), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 7,8,9-trimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole.
Chemical Property Profile of 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole
Property Insights of 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole. With a topological polar surface area (TPSA) of 53.7 Ų, 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole has 0 hydrogen bond donor(s) and 5 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 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole?
The CAS number of 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole is 57897-29-7.
What is the molecular formula of 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole?
The molecular formula of 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole is C14H15NO4.
What is the molecular weight of 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole?
The molecular weight of 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole is 261.10 g/mol.
Where can I buy 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole?
You can request a quote for 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 7,8,9-Trimethoxy-4,5-dihydronaphtho(2,1-d)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.