1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one
TL;DR: 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one (CAS 77270-36-1) is a chemical compound with molecular formula C13H13ClO and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-methylhexa-1,4-dien-3-one
Also Known As: 1-(4-chlorophenyl)-5-methylhexa-1,4-dien-3-one, 1,4-Hexadien-3-one,1-(4-chlorophenyl)-5-methyl-, (1E)-1-(4-CHLOROPHENYL)-5-METHYL-HEXA-1,4-DIEN-3-ONE
| Molecular Formula | C13H13ClO |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.06549 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 77270-36-1 |
|---|---|
| SMILES | CC(=CC(=O)C=CC1=CC=C(C=C1)Cl)C |
| InChIKey | YWXRNBXWYWIGJQ-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one (CAS 77270-36-1), with molecular formula C13H13ClO and molecular weight 220.07 g/mol. IUPAC: 1-(4-chlorophenyl)-5-methylhexa-1,4-dien-3-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one
Property Insights of 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one
The XLogP value of 4.1 indicates that 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one 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 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one?
The CAS number of 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one is 77270-36-1.
What is the molecular formula of 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one?
The molecular formula of 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one is C13H13ClO.
What is the molecular weight of 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one?
The molecular weight of 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one is 220.07 g/mol.
Where can I buy 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one?
You can request a quote for 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-5-methylhexa-1,4-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.