7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester
TL;DR: 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester (CAS 127615-75-2) is a chemical compound with molecular formula C18H20O10 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetate
Also Known As: Gpoca-Me, 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester, methyl 2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetate, Methyl [7-(beta-D-galactopyranosyloxy)-2-oxo-2H-1-benzopyran-4-yl]acetate, (1,1'-Biphenyl)-4,4'-dicarboxylic acid, 2-methylbutyl 4-(4-pentenyl)phenyl ester, (S)-
| Molecular Formula | C18H20O10 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | -1.3128 |
| Topological Polar Surface Area | 155.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.10565 |
| Heavy Atoms | 28 |
| Complexity | 904.86475 |
Chemical Identifiers
| CAS Number | 127615-75-2 |
|---|---|
| SMILES | COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O |
Product Overview
7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester (CAS 127615-75-2), with molecular formula C18H20O10 and molecular weight 396.11 g/mol. IUPAC: methyl 2-[2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetate.
Chemical Property Profile of 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester
Property Insights of 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester
The XLogP value of -1.3128 indicates that 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.89 Ų indicates high polarity, suggesting 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester has 4 hydrogen bond donor(s) and 10 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-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester?
The CAS number of 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester is 127615-75-2.
What is the molecular formula of 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester?
The molecular formula of 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester is C18H20O10.
What is the molecular weight of 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester?
The molecular weight of 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester is 396.11 g/mol.
Where can I buy 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester?
You can request a quote for 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 7-beta-Galactopyranosyl-oxycoumarin-4-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.