扁桃酸单铵盐
TL;DR: 扁桃酸单铵盐 (CAS 530-31-4) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
扁桃酸单铵盐
azane;2-hydroxy-2-phenylacetic acid
Also Known As: Ammonium mandelate, Mandicid, Amdelate, Ammoket, Pamisyl sodium
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.97 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 530-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)O.N |
| InChIKey | BDEXTKUJIZCFST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
扁桃酸单铵盐 (CAS 530-31-4), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: azane;2-hydroxy-2-phenylacetic acid.
Chemical Property Profile of 扁桃酸单铵盐
Property Insights of 扁桃酸单铵盐
The XLogP value of 0.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 扁桃酸单铵盐. With a topological polar surface area (TPSA) of 58.5 Ų, 扁桃酸单铵盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 扁桃酸单铵盐 has 3 hydrogen bond donor(s) and 4 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 扁桃酸单铵盐?
The CAS number of 扁桃酸单铵盐 is 530-31-4.
What is the molecular formula of 扁桃酸单铵盐?
The molecular formula of 扁桃酸单铵盐 is C8H11NO3.
What is the molecular weight of 扁桃酸单铵盐?
The molecular weight of 扁桃酸单铵盐 is 169.07 g/mol.
Where can I buy 扁桃酸单铵盐?
You can request a quote for 扁桃酸单铵盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 扁桃酸单铵盐?
Yes, KEHONG BIO provides custom synthesis services for 扁桃酸单铵盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.