异香草扁桃酸
TL;DR: 异香草扁桃酸 (CAS 90389-94-9) is a chemical compound with molecular formula C15H14O5 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异香草扁桃酸
2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-phenylacetic acid
Also Known As: Isovanilmandelic acid, 4-Methoxy-3-hydroxyphenylmandelic acid, 3-hydroxy-4-methoxyphenylmandelic acid, 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-phenylacetic acid, J3.027.891G
| Molecular Formula | C15H14O5 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.08414 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 90389-94-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O)O |
| InChIKey | OXVNFKQGKBOBKN-UHFFFAOYSA-N |
Product Overview
异香草扁桃酸 (CAS 90389-94-9), with molecular formula C15H14O5 and molecular weight 274.08 g/mol. IUPAC: 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2-phenylacetic acid.
Chemical Property Profile of 异香草扁桃酸
Property Insights of 异香草扁桃酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异香草扁桃酸. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异香草扁桃酸. Following Lipinski's Rule of Five, 异香草扁桃酸 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 异香草扁桃酸?
The CAS number of 异香草扁桃酸 is 90389-94-9.
What is the molecular formula of 异香草扁桃酸?
The molecular formula of 异香草扁桃酸 is C15H14O5.
What is the molecular weight of 异香草扁桃酸?
The molecular weight of 异香草扁桃酸 is 274.08 g/mol.
Where can I buy 异香草扁桃酸?
You can request a quote for 异香草扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异香草扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 异香草扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.