Acetonitrile, (o-acetylanilino)-
TL;DR: Acetonitrile, (o-acetylanilino)- (CAS 88203-04-7) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetylanilino)acetonitrile
Also Known As: Acetonitrile, (o-acetylanilino)-, 2-[(2-Acetylphenyl)amino]acetonitrile, (o-Acetylanilino)acetonitrile, 2-(2-acetylanilino)acetonitrile, Linagliptin Impurity 39
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.82468 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 352.18753 |
Chemical Identifiers
| CAS Number | 88203-04-7 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1NCC#N |
Product Overview
Acetonitrile, (o-acetylanilino)- (CAS 88203-04-7), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: 2-(2-acetylanilino)acetonitrile.
Chemical Property Profile of Acetonitrile, (o-acetylanilino)-
Property Insights of Acetonitrile, (o-acetylanilino)-
The XLogP value of 1.82468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, (o-acetylanilino)-. With a topological polar surface area (TPSA) of 52.89 Ų, Acetonitrile, (o-acetylanilino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (o-acetylanilino)- 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 Acetonitrile, (o-acetylanilino)-?
The CAS number of Acetonitrile, (o-acetylanilino)- is 88203-04-7.
What is the molecular formula of Acetonitrile, (o-acetylanilino)-?
The molecular formula of Acetonitrile, (o-acetylanilino)- is C10H10N2O.
What is the molecular weight of Acetonitrile, (o-acetylanilino)-?
The molecular weight of Acetonitrile, (o-acetylanilino)- is 174.08 g/mol.
Where can I buy Acetonitrile, (o-acetylanilino)-?
You can request a quote for Acetonitrile, (o-acetylanilino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (o-acetylanilino)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (o-acetylanilino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.