Benzaldehyde, O-(aminocarbonyl)oxime
TL;DR: Benzaldehyde, O-(aminocarbonyl)oxime (CAS 72828-63-8) is a chemical compound with molecular formula C8H7ClN2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4-chlorophenyl)methylideneamino] carbamate
Also Known As: Benzaldehyde, o-carbamoyloxime, p-Chlorobenzaldehyde O-carbamoyloxime, Benzaldehyde, O-(aminocarbonyl)oxime, p-Chlorobenzaldehyde O-carbamoyl oxime, Benzaldehyde, p-chloro-, o-carbamoyloxime
| Molecular Formula | C8H7ClN2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 1.7692 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0196 |
| Heavy Atoms | 13 |
| Complexity | 321.42084 |
Chemical Identifiers
| CAS Number | 72828-63-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/OC(=O)N)Cl |
Product Overview
Benzaldehyde, O-(aminocarbonyl)oxime (CAS 72828-63-8), with molecular formula C8H7ClN2O2 and molecular weight 198.02 g/mol. IUPAC: [(E)-(4-chlorophenyl)methylideneamino] carbamate.
Chemical Property Profile of Benzaldehyde, O-(aminocarbonyl)oxime
Property Insights of Benzaldehyde, O-(aminocarbonyl)oxime
The XLogP value of 1.7692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, O-(aminocarbonyl)oxime. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehyde, O-(aminocarbonyl)oxime. Following Lipinski's Rule of Five, Benzaldehyde, O-(aminocarbonyl)oxime 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 Benzaldehyde, O-(aminocarbonyl)oxime?
The CAS number of Benzaldehyde, O-(aminocarbonyl)oxime is 72828-63-8.
What is the molecular formula of Benzaldehyde, O-(aminocarbonyl)oxime?
The molecular formula of Benzaldehyde, O-(aminocarbonyl)oxime is C8H7ClN2O2.
What is the molecular weight of Benzaldehyde, O-(aminocarbonyl)oxime?
The molecular weight of Benzaldehyde, O-(aminocarbonyl)oxime is 198.02 g/mol.
Where can I buy Benzaldehyde, O-(aminocarbonyl)oxime?
You can request a quote for Benzaldehyde, O-(aminocarbonyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, O-(aminocarbonyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, O-(aminocarbonyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.