Mandelic acid, monoammonium salt
TL;DR: Mandelic acid, monoammonium salt (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.
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
Mandelic acid, monoammonium salt (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 Mandelic acid, monoammonium salt
Property Insights of Mandelic acid, monoammonium salt
The XLogP value of 0.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, monoammonium salt. With a topological polar surface area (TPSA) of 58.5 Ų, Mandelic acid, monoammonium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, monoammonium salt 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 Mandelic acid, monoammonium salt?
The CAS number of Mandelic acid, monoammonium salt is 530-31-4.
What is the molecular formula of Mandelic acid, monoammonium salt?
The molecular formula of Mandelic acid, monoammonium salt is C8H11NO3.
What is the molecular weight of Mandelic acid, monoammonium salt?
The molecular weight of Mandelic acid, monoammonium salt is 169.07 g/mol.
Where can I buy Mandelic acid, monoammonium salt?
You can request a quote for Mandelic acid, monoammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandelic acid, monoammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, monoammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.