(3-( methyl4-Chloro-alpha- benzeneacetate
TL;DR: (3-( methyl4-Chloro-alpha- benzeneacetate (CAS 80499-01-0) is a chemical compound with molecular formula C26H26ClFO3 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-fluorophenyl)-methoxymethyl]phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate
Also Known As: (3-( methyl4-Chloro-alpha- benzeneacetate, (3-((4-Fluorophenyl)methoxymethyl)phenyl)methyl 4-Chloro-alpha-(1-methylethyl)benzeneacetate, [3-[(4-fluorophenyl)-methoxymethyl]phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate, Benzeneacetic acid, 4-Chloro-alpha-(1-methylethyl)-, (3-((4-fluorophenyl)methoxymethyl)phenyl)methyl ester, {3-[(4-Fluorophenyl)(methoxy)methyl]phenyl}methyl 2-(4-chlorophenyl)-3-methylbutanoate
| Molecular Formula | C26H26ClFO3 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.15546 |
| Heavy Atoms | 31 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 80499-01-0 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC(=CC=C2)C(C3=CC=C(C=C3)F)OC |
| InChIKey | FJWZBJUBDIQMKW-UHFFFAOYSA-N |
Product Overview
(3-( methyl4-Chloro-alpha- benzeneacetate (CAS 80499-01-0), with molecular formula C26H26ClFO3 and molecular weight 440.16 g/mol. IUPAC: [3-[(4-fluorophenyl)-methoxymethyl]phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate.
Chemical Property Profile of (3-( methyl4-Chloro-alpha- benzeneacetate
Property Insights of (3-( methyl4-Chloro-alpha- benzeneacetate
The XLogP value of 6.6 indicates that (3-( methyl4-Chloro-alpha- benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (3-( methyl4-Chloro-alpha- benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-( methyl4-Chloro-alpha- benzeneacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-( methyl4-Chloro-alpha- benzeneacetate?
The CAS number of (3-( methyl4-Chloro-alpha- benzeneacetate is 80499-01-0.
What is the molecular formula of (3-( methyl4-Chloro-alpha- benzeneacetate?
The molecular formula of (3-( methyl4-Chloro-alpha- benzeneacetate is C26H26ClFO3.
What is the molecular weight of (3-( methyl4-Chloro-alpha- benzeneacetate?
The molecular weight of (3-( methyl4-Chloro-alpha- benzeneacetate is 440.16 g/mol.
Where can I buy (3-( methyl4-Chloro-alpha- benzeneacetate?
You can request a quote for (3-( methyl4-Chloro-alpha- benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-( methyl4-Chloro-alpha- benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for (3-( methyl4-Chloro-alpha- benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.