Benzyl 5-cyano-2-(hydroxyimino)pentanoate
TL;DR: Benzyl 5-cyano-2-(hydroxyimino)pentanoate (CAS 91807-24-8) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2Z)-5-cyano-2-hydroxyiminopentanoate
Also Known As: Benzyl 5-cyano-2-(hydroxyimino)pentanoate, Benzyl-5-cyano-2-oximinovalerat, benzyl 5-cyano-2-hydroxyiminopentanoate, benzyl (2Z)-5-cyano-2-hydroxyiminopentanoate, benzyl (2Z)-5-cyano-2-hydroxyimino-pentanoate
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.25388 |
| Topological Polar Surface Area | 82.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 449.0542 |
Chemical Identifiers
| CAS Number | 91807-24-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)/C(=N\O)/CCCC#N |
Product Overview
Benzyl 5-cyano-2-(hydroxyimino)pentanoate (CAS 91807-24-8), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: benzyl (2Z)-5-cyano-2-hydroxyiminopentanoate.
Chemical Property Profile of Benzyl 5-cyano-2-(hydroxyimino)pentanoate
Property Insights of Benzyl 5-cyano-2-(hydroxyimino)pentanoate
The XLogP value of 2.25388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 5-cyano-2-(hydroxyimino)pentanoate. The TPSA of 82.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-cyano-2-(hydroxyimino)pentanoate. Following Lipinski's Rule of Five, Benzyl 5-cyano-2-(hydroxyimino)pentanoate has 1 hydrogen bond donor(s) and 5 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 Benzyl 5-cyano-2-(hydroxyimino)pentanoate?
The CAS number of Benzyl 5-cyano-2-(hydroxyimino)pentanoate is 91807-24-8.
What is the molecular formula of Benzyl 5-cyano-2-(hydroxyimino)pentanoate?
The molecular formula of Benzyl 5-cyano-2-(hydroxyimino)pentanoate is C13H14N2O3.
What is the molecular weight of Benzyl 5-cyano-2-(hydroxyimino)pentanoate?
The molecular weight of Benzyl 5-cyano-2-(hydroxyimino)pentanoate is 246.10 g/mol.
Where can I buy Benzyl 5-cyano-2-(hydroxyimino)pentanoate?
You can request a quote for Benzyl 5-cyano-2-(hydroxyimino)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-cyano-2-(hydroxyimino)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-cyano-2-(hydroxyimino)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.