4,7-二甲氧基-5-甲基香豆素
TL;DR: 4,7-二甲氧基-5-甲基香豆素 (CAS 53377-54-1) is a chemical compound with molecular formula C17H14O2 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-二甲氧基-5-甲基香豆素
2-phenanthren-9-ylpropanoic acid
Also Known As: 2-(9-phenanthryl)propanoic acid, 2-phenanthren-9-ylpropanoic acid, alpha-Methyl-9-phenanthreneacetic acid, 2-(phenanthren-9-yl)propanoic acid, Propionic acid, 2-(9-phenanthryl)-
| Molecular Formula | C17H14O2 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.09938 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 53377-54-1 |
|---|---|
| SMILES | CC(C1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)O |
| InChIKey | KDSPHRIFRARIST-UHFFFAOYSA-N |
Product Overview
4,7-二甲氧基-5-甲基香豆素 (CAS 53377-54-1), with molecular formula C17H14O2 and molecular weight 250.10 g/mol. IUPAC: 2-phenanthren-9-ylpropanoic acid.
Chemical Property Profile of 4,7-二甲氧基-5-甲基香豆素
Property Insights of 4,7-二甲氧基-5-甲基香豆素
The XLogP value of 4.5 indicates that 4,7-二甲氧基-5-甲基香豆素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4,7-二甲氧基-5-甲基香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-二甲氧基-5-甲基香豆素 has 1 hydrogen bond donor(s) and 2 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 4,7-二甲氧基-5-甲基香豆素?
The CAS number of 4,7-二甲氧基-5-甲基香豆素 is 53377-54-1.
What is the molecular formula of 4,7-二甲氧基-5-甲基香豆素?
The molecular formula of 4,7-二甲氧基-5-甲基香豆素 is C17H14O2.
What is the molecular weight of 4,7-二甲氧基-5-甲基香豆素?
The molecular weight of 4,7-二甲氧基-5-甲基香豆素 is 250.10 g/mol.
Where can I buy 4,7-二甲氧基-5-甲基香豆素?
You can request a quote for 4,7-二甲氧基-5-甲基香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-二甲氧基-5-甲基香豆素?
Yes, KEHONG BIO provides custom synthesis services for 4,7-二甲氧基-5-甲基香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.