2-(2-Chlorobenzyl)-3-oxobutanal
TL;DR: 2-(2-Chlorobenzyl)-3-oxobutanal (CAS 91193-13-4) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methyl]-3-oxobutanal
Also Known As: 2-(2-chlorobenzyl)-3-oxobutanal, NCIOpen2_004646, 2-[(2-chlorophenyl)methyl]-3-oxobutanal, 2-[o-Chlor-benzyl]-butan-1,3-dion, 2-[(2-chlorophenyl)methyl]-3-oxo-butanal
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.04475 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 91193-13-4 |
|---|---|
| SMILES | CC(=O)C(CC1=CC=CC=C1Cl)C=O |
| InChIKey | NHPXLRPRCJJPLB-UHFFFAOYSA-N |
Product Overview
2-(2-Chlorobenzyl)-3-oxobutanal (CAS 91193-13-4), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]-3-oxobutanal.
Chemical Property Profile of 2-(2-Chlorobenzyl)-3-oxobutanal
Property Insights of 2-(2-Chlorobenzyl)-3-oxobutanal
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chlorobenzyl)-3-oxobutanal. With a topological polar surface area (TPSA) of 34.1 Ų, 2-(2-Chlorobenzyl)-3-oxobutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorobenzyl)-3-oxobutanal has 0 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 2-(2-Chlorobenzyl)-3-oxobutanal?
The CAS number of 2-(2-Chlorobenzyl)-3-oxobutanal is 91193-13-4.
What is the molecular formula of 2-(2-Chlorobenzyl)-3-oxobutanal?
The molecular formula of 2-(2-Chlorobenzyl)-3-oxobutanal is C11H11ClO2.
What is the molecular weight of 2-(2-Chlorobenzyl)-3-oxobutanal?
The molecular weight of 2-(2-Chlorobenzyl)-3-oxobutanal is 210.04 g/mol.
Where can I buy 2-(2-Chlorobenzyl)-3-oxobutanal?
You can request a quote for 2-(2-Chlorobenzyl)-3-oxobutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorobenzyl)-3-oxobutanal?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorobenzyl)-3-oxobutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.