2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸
TL;DR: 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 (CAS 3695-24-7) 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.
2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸
2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid
Also Known As: 3-Hydroxy-4-methoxymandelic acid, 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid, Isovanilmandelic acid, iso-VMA, Hydroxy(3-hydroxy-4-methoxyphenyl)acetic acid
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 0.4 |
| 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 |
Chemical Identifiers
| CAS Number | 3695-24-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C(=O)O)O)O |
| InChIKey | PXMUSCHKJYFZFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 (CAS 3695-24-7), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid.
Chemical Property Profile of 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸
Property Insights of 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸. Following Lipinski's Rule of Five, 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 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 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸?
The CAS number of 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 is 3695-24-7.
What is the molecular formula of 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸?
The molecular formula of 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 is C9H10O5.
What is the molecular weight of 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸?
The molecular weight of 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 is 198.05 g/mol.
Where can I buy 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸?
You can request a quote for 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-2-(3-羟基-4-甲氧基苯基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.