地茶酸
TL;DR: 地茶酸 (CAS 484-55-9) is a chemical compound with molecular formula C19H16O11 and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地茶酸
5-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-3-formyl-2,4-dihydroxy-6-methylbenzoic acid
Also Known As: Thamnolic acid, Thamnolate, 5-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-3-formyl-2,4-dihydroxy-6-methylbenzoic acid, 2-Hydroxy-4-methoxy-6-methyl-1,3-benzenedicarboxylic acid 1-(3-carboxy-5-formyl-4,6-dihydroxy-2-methylphenyl) ester, 3-((3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy)-5-formyl-4,6-dihydroxy-2-methylbenzoic acid
| Molecular Formula | C19H16O11 |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 1.85694 |
| Topological Polar Surface Area | 187.89 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.06927 |
| Heavy Atoms | 30 |
| Complexity | 1098.8802 |
Chemical Identifiers
| CAS Number | 484-55-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C(=O)O)O)C=O)O)O)C(=O)O)OC |
Product Overview
地茶酸 (CAS 484-55-9), with molecular formula C19H16O11 and molecular weight 420.07 g/mol. IUPAC: 5-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-3-formyl-2,4-dihydroxy-6-methylbenzoic acid.
Chemical Property Profile of 地茶酸
Property Insights of 地茶酸
The XLogP value of 1.85694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地茶酸. The TPSA of 187.89 Ų indicates high polarity, suggesting 地茶酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 地茶酸 has 5 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 地茶酸?
The CAS number of 地茶酸 is 484-55-9.
What is the molecular formula of 地茶酸?
The molecular formula of 地茶酸 is C19H16O11.
What is the molecular weight of 地茶酸?
The molecular weight of 地茶酸 is 420.07 g/mol.
Where can I buy 地茶酸?
You can request a quote for 地茶酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地茶酸?
Yes, KEHONG BIO provides custom synthesis services for 地茶酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.