Thomassaeure
TL;DR: Thomassaeure (CAS 18074-65-2) is a chemical compound with molecular formula C22H24O9 and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylic acid
Also Known As: Thomassaeure, 6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylic acid, 6-hydroxy-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylic acid, 3,4-dihydro-6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-
| Molecular Formula | C22H24O9 |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.14203 |
| Heavy Atoms | 31 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 18074-65-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C2C(C(=CC3=CC(=C(C(=C23)OC)O)OC)C(=O)O)CO |
| InChIKey | XCPQBTNKYMMDJL-UHFFFAOYSA-N |
Product Overview
Thomassaeure (CAS 18074-65-2), with molecular formula C22H24O9 and molecular weight 432.14 g/mol. IUPAC: 6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylic acid.
Chemical Property Profile of Thomassaeure
Property Insights of Thomassaeure
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thomassaeure. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thomassaeure. Following Lipinski's Rule of Five, Thomassaeure has 4 hydrogen bond donor(s) and 9 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 Thomassaeure?
The CAS number of Thomassaeure is 18074-65-2.
What is the molecular formula of Thomassaeure?
The molecular formula of Thomassaeure is C22H24O9.
What is the molecular weight of Thomassaeure?
The molecular weight of Thomassaeure is 432.14 g/mol.
Where can I buy Thomassaeure?
You can request a quote for Thomassaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thomassaeure?
Yes, KEHONG BIO provides custom synthesis services for Thomassaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.