6-羧基香草酸
TL;DR: 6-羧基香草酸 (CAS 63035-28-9) is a chemical compound with molecular formula C9H8O6 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-羧基香草酸
4-hydroxy-5-methoxyphthalic acid
Also Known As: 6-CARBOXYVANILLIC ACID, 4-hydroxy-5-methoxyphthalic acid, 4-hydroxy-5-methoxybenzene-1,2-dicarboxylic acid, J1.622.412J, RefChem:1073851
| Molecular Formula | C9H8O6 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.03209 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 63035-28-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)C(=O)O)O |
| InChIKey | OFECJXVRRIHUSC-UHFFFAOYSA-N |
Product Overview
6-羧基香草酸 (CAS 63035-28-9), with molecular formula C9H8O6 and molecular weight 212.03 g/mol. IUPAC: 4-hydroxy-5-methoxyphthalic acid.
Chemical Property Profile of 6-羧基香草酸
Property Insights of 6-羧基香草酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-羧基香草酸. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-羧基香草酸. Following Lipinski's Rule of Five, 6-羧基香草酸 has 3 hydrogen bond donor(s) and 6 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-羧基香草酸?
The CAS number of 6-羧基香草酸 is 63035-28-9.
What is the molecular formula of 6-羧基香草酸?
The molecular formula of 6-羧基香草酸 is C9H8O6.
What is the molecular weight of 6-羧基香草酸?
The molecular weight of 6-羧基香草酸 is 212.03 g/mol.
Where can I buy 6-羧基香草酸?
You can request a quote for 6-羧基香草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-羧基香草酸?
Yes, KEHONG BIO provides custom synthesis services for 6-羧基香草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.