beta-Phenylserinenitrile
TL;DR: beta-Phenylserinenitrile (CAS 76833-35-7) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-hydroxy-3-phenylpropanenitrile
Also Known As: beta-Phenylserinenitrile, 2-amino-3-hydroxy-3-phenylpropanenitrile, Benzenepropanenitrile, alpha-amino-beta-hydroxy-, RefChem:119489
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 76833-35-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C#N)N)O |
| InChIKey | JPDWLEFXSRAWTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Phenylserinenitrile (CAS 76833-35-7), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 2-amino-3-hydroxy-3-phenylpropanenitrile.
Chemical Property Profile of beta-Phenylserinenitrile
Property Insights of beta-Phenylserinenitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Phenylserinenitrile. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Phenylserinenitrile. Following Lipinski's Rule of Five, beta-Phenylserinenitrile has 2 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 beta-Phenylserinenitrile?
The CAS number of beta-Phenylserinenitrile is 76833-35-7.
What is the molecular formula of beta-Phenylserinenitrile?
The molecular formula of beta-Phenylserinenitrile is C9H10N2O.
What is the molecular weight of beta-Phenylserinenitrile?
The molecular weight of beta-Phenylserinenitrile is 162.08 g/mol.
Where can I buy beta-Phenylserinenitrile?
You can request a quote for beta-Phenylserinenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Phenylserinenitrile?
Yes, KEHONG BIO provides custom synthesis services for beta-Phenylserinenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.