![3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate structure](/static/products/139/13979-75-4.png)
3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate
TL;DR: 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate (CAS 13979-75-4) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
Also Known As: 3-[(acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate, acetic acid 3-acetoxymethyl-5-methoxy-2-methyl-benzyl ester, [3-(acetyloxymethyl)-5-methoxy-2-methyl-phenyl]methyl Acetate, [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.12982 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 439.71982 |
Chemical Identifiers
| CAS Number | 13979-75-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1COC(=O)C)OC)COC(=O)C |
Product Overview
3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate (CAS 13979-75-4), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate.
Chemical Property Profile of 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate
Property Insights of 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate
The XLogP value of 2.12982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate. Following Lipinski's Rule of Five, 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate has 0 hydrogen bond donor(s) and 5 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 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate?
The CAS number of 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate is 13979-75-4.
What is the molecular formula of 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate?
The molecular formula of 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate is C14H18O5.
What is the molecular weight of 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate?
The molecular weight of 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate is 266.12 g/mol.
Where can I buy 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate?
You can request a quote for 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Acetyloxy)methyl]-5-methoxy-2-methylbenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.