b-Chlorobutenal
TL;DR: b-Chlorobutenal (CAS 33603-82-6) is a chemical compound with molecular formula C4H5ClO and molecular weight 104.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-chlorobut-2-enal
Also Known As: b-chlorobutenal, 3-Methylbutyrolactone, (E)-3-chlorobut-2-enal, (E)-3-chlorobut-2-en-1-al
| Molecular Formula | C4H5ClO |
|---|---|
| Molecular Weight | 104.00 g/mol |
| LogP | 1.3279 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.00289 |
| Heavy Atoms | 6 |
| Complexity | 71.61727 |
Chemical Identifiers
| CAS Number | 33603-82-6 |
|---|---|
| SMILES | C/C(=C\C=O)/Cl |
Product Overview
b-Chlorobutenal (CAS 33603-82-6), with molecular formula C4H5ClO and molecular weight 104.00 g/mol. IUPAC: (E)-3-chlorobut-2-enal.
Chemical Property Profile of b-Chlorobutenal
Property Insights of b-Chlorobutenal
The XLogP value of 1.3279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for b-Chlorobutenal. With a topological polar surface area (TPSA) of 17.07 Ų, b-Chlorobutenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, b-Chlorobutenal 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 b-Chlorobutenal?
The CAS number of b-Chlorobutenal is 33603-82-6.
What is the molecular formula of b-Chlorobutenal?
The molecular formula of b-Chlorobutenal is C4H5ClO.
What is the molecular weight of b-Chlorobutenal?
The molecular weight of b-Chlorobutenal is 104.00 g/mol.
Where can I buy b-Chlorobutenal?
You can request a quote for b-Chlorobutenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for b-Chlorobutenal?
Yes, KEHONG BIO provides custom synthesis services for b-Chlorobutenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.