扁桃腈
TL;DR: 扁桃腈 (CAS 532-28-5) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
扁桃腈
2-hydroxy-2-phenylacetonitrile
Also Known As: Mandelonitrile, Amygdalonitrile, Phenylglycolonitrile, Benzaldehyde cyanohydrin, Mandelic acid nitrile
| Molecular Formula | C8H7NO |
|---|---|
| Molecular Weight | 133.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.05276 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
| Melting Point | -10.0 °C (also given as 22.2 °C) |
| Boiling Point | 170.0 °C at 760 mmHg (decomposes) |
| Density | 1.1165 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 81.9 °C |
Chemical Identifiers
| CAS Number | 532-28-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)O |
| InChIKey | NNICRUQPODTGRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
扁桃腈 (CAS 532-28-5), with molecular formula C8H7NO and molecular weight 133.05 g/mol. IUPAC: 2-hydroxy-2-phenylacetonitrile.
Chemical Property Profile of 扁桃腈
Property Insights of 扁桃腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 扁桃腈. With a topological polar surface area (TPSA) of 44.0 Ų, 扁桃腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 扁桃腈 has 1 hydrogen bond donor(s) and 2 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 扁桃腈?
The CAS number of 扁桃腈 is 532-28-5.
What is the molecular formula of 扁桃腈?
The molecular formula of 扁桃腈 is C8H7NO.
What is the molecular weight of 扁桃腈?
The molecular weight of 扁桃腈 is 133.05 g/mol.
Where can I buy 扁桃腈?
You can request a quote for 扁桃腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 扁桃腈?
Yes, KEHONG BIO provides custom synthesis services for 扁桃腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.