3-Chloro-2-methyl-2-pentenal
TL;DR: 3-Chloro-2-methyl-2-pentenal (CAS 1679-39-6) is a chemical compound with molecular formula C6H9ClO and molecular weight 132.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-methylpent-2-enal
Also Known As: 3-chloro-2-methyl-2-pentenal, 3-chloro-2-methylpent-2-enal, 3-chloro-2-methyl-pent-2-enal, 2-Pentenal, 3-chloro-2-methyl-, (Z)-
| Molecular Formula | C6H9ClO |
|---|---|
| Molecular Weight | 132.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.0342 |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 1679-39-6 |
|---|---|
| SMILES | CCC(=C(C)C=O)Cl |
| InChIKey | XVBAOJCDXBMWMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-methyl-2-pentenal (CAS 1679-39-6), with molecular formula C6H9ClO and molecular weight 132.03 g/mol. IUPAC: 3-chloro-2-methylpent-2-enal.
Chemical Property Profile of 3-Chloro-2-methyl-2-pentenal
Property Insights of 3-Chloro-2-methyl-2-pentenal
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-2-pentenal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chloro-2-methyl-2-pentenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-2-pentenal has 0 hydrogen bond donor(s) and 1 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 3-Chloro-2-methyl-2-pentenal?
The CAS number of 3-Chloro-2-methyl-2-pentenal is 1679-39-6.
What is the molecular formula of 3-Chloro-2-methyl-2-pentenal?
The molecular formula of 3-Chloro-2-methyl-2-pentenal is C6H9ClO.
What is the molecular weight of 3-Chloro-2-methyl-2-pentenal?
The molecular weight of 3-Chloro-2-methyl-2-pentenal is 132.03 g/mol.
Where can I buy 3-Chloro-2-methyl-2-pentenal?
You can request a quote for 3-Chloro-2-methyl-2-pentenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-2-pentenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-2-pentenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.