甲基-4-苯基扁桃酸
TL;DR: 甲基-4-苯基扁桃酸 (CAS 6244-54-8) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基-4-苯基扁桃酸
phenyl 2-hydroxy-2-phenylpropanoate
Also Known As: Methyl-4-phenylmandelic acid, phenyl 2-hydroxy-2-phenylpropanoate, alpha-Methyl-4-phenylmandelic acid, MANDELIC ACID, alpha-METHYL-4-PHENYL-, 3-10-00-01200 (Beilstein Handbook Reference)
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 6244-54-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(C(=O)OC2=CC=CC=C2)O |
| InChIKey | WBOKEHVGWRVHHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基-4-苯基扁桃酸 (CAS 6244-54-8), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: phenyl 2-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 甲基-4-苯基扁桃酸
Property Insights of 甲基-4-苯基扁桃酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基-4-苯基扁桃酸. With a topological polar surface area (TPSA) of 46.5 Ų, 甲基-4-苯基扁桃酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基-4-苯基扁桃酸 has 1 hydrogen bond donor(s) and 3 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 甲基-4-苯基扁桃酸?
The CAS number of 甲基-4-苯基扁桃酸 is 6244-54-8.
What is the molecular formula of 甲基-4-苯基扁桃酸?
The molecular formula of 甲基-4-苯基扁桃酸 is C15H14O3.
What is the molecular weight of 甲基-4-苯基扁桃酸?
The molecular weight of 甲基-4-苯基扁桃酸 is 242.09 g/mol.
Where can I buy 甲基-4-苯基扁桃酸?
You can request a quote for 甲基-4-苯基扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基-4-苯基扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 甲基-4-苯基扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.