Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester
TL;DR: Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester (CAS 2911-74-2) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
Also Known As: methyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate, Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester, Methyl hydroxy(4-hydroxy-3-methoxyphenyl)acetate #, alpha-hydroxy-4-hydroxy-3-methoxybenzeneacetic acid methyl ester, Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-, methyl ester
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 2911-74-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(C(=O)OC)O)O |
| InChIKey | XPQNHALAUGGUJN-UHFFFAOYSA-N |
Product Overview
Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester (CAS 2911-74-2), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: methyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate.
Chemical Property Profile of Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester
Property Insights of Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester. Following Lipinski's Rule of Five, Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester has 2 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 Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester?
The CAS number of Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester is 2911-74-2.
What is the molecular formula of Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester?
The molecular formula of Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester is C10H12O5.
What is the molecular weight of Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester?
The molecular weight of Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester is 212.07 g/mol.
Where can I buy Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester?
You can request a quote for Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.