香草扁桃酸
TL;DR: 香草扁桃酸 (CAS 55-10-7) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香草扁桃酸
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
Also Known As: Vanillylmandelic acid, dl-4-Hydroxy-3-methoxymandelic acid, Vanilmandelic acid, 4-HYDROXY-3-METHOXYMANDELIC ACID, Vanillinmandelic Acid
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| Solubility | Sparingly soluble in water |
Chemical Identifiers
| CAS Number | 55-10-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(C(=O)O)O)O |
| InChIKey | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香草扁桃酸 (CAS 55-10-7), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid.
Chemical Property Profile of 香草扁桃酸
Property Insights of 香草扁桃酸
The XLogP value of -0.2 indicates that 香草扁桃酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 香草扁桃酸. Following Lipinski's Rule of Five, 香草扁桃酸 has 3 hydrogen bond donor(s) and 5 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 香草扁桃酸?
The CAS number of 香草扁桃酸 is 55-10-7.
What is the molecular formula of 香草扁桃酸?
The molecular formula of 香草扁桃酸 is C9H10O5.
What is the molecular weight of 香草扁桃酸?
The molecular weight of 香草扁桃酸 is 198.05 g/mol.
Where can I buy 香草扁桃酸?
You can request a quote for 香草扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香草扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 香草扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.