![2-[Chloro(4-methylphenyl)methylene]butanal structure](/static/products/838/83877-86-5.png)
2-[Chloro(4-methylphenyl)methylene]butanal
TL;DR: 2-[Chloro(4-methylphenyl)methylene]butanal (CAS 83877-86-5) is a chemical compound with molecular formula C12H13ClO and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[chloro-(4-methylphenyl)methylidene]butanal
Also Known As: 2-[Chloro(4-methylphenyl)methylene]butanal, 2-[chloro-(4-methylphenyl)methylidene]butanal, Butanal,2-[chloro(4-methylphenyl)methylene]-, 2-[CHLORO(4-METHYLPHENYL)METHYLIDENE]BUTANAL
| Molecular Formula | C12H13ClO |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 3.55382 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.06549 |
| Heavy Atoms | 14 |
| Complexity | 349.08942 |
Chemical Identifiers
| CAS Number | 83877-86-5 |
|---|---|
| SMILES | CCC(=C(C1=CC=C(C=C1)C)Cl)C=O |
Product Overview
2-[Chloro(4-methylphenyl)methylene]butanal (CAS 83877-86-5), with molecular formula C12H13ClO and molecular weight 208.07 g/mol. IUPAC: 2-[chloro-(4-methylphenyl)methylidene]butanal.
Chemical Property Profile of 2-[Chloro(4-methylphenyl)methylene]butanal
Property Insights of 2-[Chloro(4-methylphenyl)methylene]butanal
The XLogP value of 3.55382 indicates that 2-[Chloro(4-methylphenyl)methylene]butanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-[Chloro(4-methylphenyl)methylene]butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Chloro(4-methylphenyl)methylene]butanal 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 2-[Chloro(4-methylphenyl)methylene]butanal?
The CAS number of 2-[Chloro(4-methylphenyl)methylene]butanal is 83877-86-5.
What is the molecular formula of 2-[Chloro(4-methylphenyl)methylene]butanal?
The molecular formula of 2-[Chloro(4-methylphenyl)methylene]butanal is C12H13ClO.
What is the molecular weight of 2-[Chloro(4-methylphenyl)methylene]butanal?
The molecular weight of 2-[Chloro(4-methylphenyl)methylene]butanal is 208.07 g/mol.
Where can I buy 2-[Chloro(4-methylphenyl)methylene]butanal?
You can request a quote for 2-[Chloro(4-methylphenyl)methylene]butanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Chloro(4-methylphenyl)methylene]butanal?
Yes, KEHONG BIO provides custom synthesis services for 2-[Chloro(4-methylphenyl)methylene]butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.