6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one
TL;DR: 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one (CAS 299441-36-4) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-(4-methoxyphenyl)-1,4-dihydroisochromen-3-one
Also Known As: starbld0013907, TimTec1_004485, 6,7-dimethoxy-1-(4-methoxyphenyl)isochroman-3-one, BAS 00834807, 6,7-dimethoxy-1-(4-methoxyphenyl)-1,4-dihydro-3H-isochromen-3-one
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 2.9011 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 720.93695 |
Chemical Identifiers
| CAS Number | 299441-36-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)O2)OC)OC |
Product Overview
6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one (CAS 299441-36-4), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: 6,7-dimethoxy-1-(4-methoxyphenyl)-1,4-dihydroisochromen-3-one.
Chemical Property Profile of 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one
Property Insights of 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one
The XLogP value of 2.9011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one. With a topological polar surface area (TPSA) of 53.99 Ų, 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one 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 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one?
The CAS number of 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one is 299441-36-4.
What is the molecular formula of 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one?
The molecular formula of 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one is C18H18O5.
What is the molecular weight of 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one?
The molecular weight of 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one is 314.12 g/mol.
Where can I buy 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one?
You can request a quote for 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.