m-Toluic acid,cyclopentyl ester
TL;DR: m-Toluic acid,cyclopentyl ester (CAS 76765-45-2) is a chemical compound with molecular formula C28H27ClO6 and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[2-acetyloxy-3-[(2-acetyloxy-5-methylphenyl)methyl]-5-chlorophenyl]methyl]-4-methylphenyl] acetate
Also Known As: m-Toluic acid,cyclopentyl ester, 2-{2-(acetyloxy)-3-[2-(acetyloxy)-5-methylbenzyl]-5-chlorobenzyl}-4-methylphenyl acetate, [2-[[2-acetyloxy-3-[(2-acetyloxy-5-methylphenyl)methyl]-5-ch, [2-[[2-acetyloxy-3-[(2-acetyloxy-5-methylphenyl)methyl]-5-chlorophenyl]methyl]-4-methylphenyl] acetate, {[2-(Acetyloxy)-5-chloro-1,3-phenylene]bis(methylene)-4-methyl-2,1-phenylene} diacetate
| Molecular Formula | C28H27ClO6 |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 494.14963 |
| Heavy Atoms | 35 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 76765-45-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C)CC2=CC(=CC(=C2OC(=O)C)CC3=C(C=CC(=C3)C)OC(=O)C)Cl |
| InChIKey | DQNUADHLJVXLGD-UHFFFAOYSA-N |
Product Overview
m-Toluic acid,cyclopentyl ester (CAS 76765-45-2), with molecular formula C28H27ClO6 and molecular weight 494.15 g/mol. IUPAC: [2-[[2-acetyloxy-3-[(2-acetyloxy-5-methylphenyl)methyl]-5-chlorophenyl]methyl]-4-methylphenyl] acetate.
Chemical Property Profile of m-Toluic acid,cyclopentyl ester
Property Insights of m-Toluic acid,cyclopentyl ester
The XLogP value of 6.4 indicates that m-Toluic acid,cyclopentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Toluic acid,cyclopentyl ester. Following Lipinski's Rule of Five, m-Toluic acid,cyclopentyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of m-Toluic acid,cyclopentyl ester?
The CAS number of m-Toluic acid,cyclopentyl ester is 76765-45-2.
What is the molecular formula of m-Toluic acid,cyclopentyl ester?
The molecular formula of m-Toluic acid,cyclopentyl ester is C28H27ClO6.
What is the molecular weight of m-Toluic acid,cyclopentyl ester?
The molecular weight of m-Toluic acid,cyclopentyl ester is 494.15 g/mol.
Where can I buy m-Toluic acid,cyclopentyl ester?
You can request a quote for m-Toluic acid,cyclopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Toluic acid,cyclopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for m-Toluic acid,cyclopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.