4-Methylphenyl 4-chlorobutanoate
TL;DR: 4-Methylphenyl 4-chlorobutanoate (CAS 23051-24-3) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-chlorobutanoate
Also Known As: 4-METHYLPHENYL 4-CHLOROBUTANOATE, p-Tolyl 4-chlorobutanoate, (4-methylphenyl) 4-chlorobutanoate, p-Kresyl-4-chlorbutyrat, p-Tolyl4-chlorobutanoate
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.91942 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 292.66077 |
Chemical Identifiers
| CAS Number | 23051-24-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCCCl |
Product Overview
4-Methylphenyl 4-chlorobutanoate (CAS 23051-24-3), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: (4-methylphenyl) 4-chlorobutanoate.
Chemical Property Profile of 4-Methylphenyl 4-chlorobutanoate
Property Insights of 4-Methylphenyl 4-chlorobutanoate
The XLogP value of 2.91942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl 4-chlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylphenyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 4-chlorobutanoate 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 4-Methylphenyl 4-chlorobutanoate?
The CAS number of 4-Methylphenyl 4-chlorobutanoate is 23051-24-3.
What is the molecular formula of 4-Methylphenyl 4-chlorobutanoate?
The molecular formula of 4-Methylphenyl 4-chlorobutanoate is C11H13ClO2.
What is the molecular weight of 4-Methylphenyl 4-chlorobutanoate?
The molecular weight of 4-Methylphenyl 4-chlorobutanoate is 212.06 g/mol.
Where can I buy 4-Methylphenyl 4-chlorobutanoate?
You can request a quote for 4-Methylphenyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.