Propan-2-yl(3,4-dimethoxyphenyl)acetate
TL;DR: Propan-2-yl(3,4-dimethoxyphenyl)acetate (CAS 73151-71-0) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(3,4-dimethoxyphenyl)acetate
Also Known As: 2-isopropylbenzofurane, propan-2-yl(3,4-dimethoxyphenyl)acetate, propan-2-yl 2-(3,4-dimethoxyphenyl)acetate, Propan-2-yl (3,4-dimethoxyphenyl)acetate, Benzeneacetic acid, 3,4-dimethoxy-, 1-methylethyl ester
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 73151-71-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC1=CC(=C(C=C1)OC)OC |
| InChIKey | CODDJUHMESRGNI-UHFFFAOYSA-N |
Product Overview
Propan-2-yl(3,4-dimethoxyphenyl)acetate (CAS 73151-71-0), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: propan-2-yl 2-(3,4-dimethoxyphenyl)acetate.
Chemical Property Profile of Propan-2-yl(3,4-dimethoxyphenyl)acetate
Property Insights of Propan-2-yl(3,4-dimethoxyphenyl)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl(3,4-dimethoxyphenyl)acetate. With a topological polar surface area (TPSA) of 44.8 Ų, Propan-2-yl(3,4-dimethoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl(3,4-dimethoxyphenyl)acetate has 0 hydrogen bond donor(s) and 4 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 Propan-2-yl(3,4-dimethoxyphenyl)acetate?
The CAS number of Propan-2-yl(3,4-dimethoxyphenyl)acetate is 73151-71-0.
What is the molecular formula of Propan-2-yl(3,4-dimethoxyphenyl)acetate?
The molecular formula of Propan-2-yl(3,4-dimethoxyphenyl)acetate is C13H18O4.
What is the molecular weight of Propan-2-yl(3,4-dimethoxyphenyl)acetate?
The molecular weight of Propan-2-yl(3,4-dimethoxyphenyl)acetate is 238.12 g/mol.
Where can I buy Propan-2-yl(3,4-dimethoxyphenyl)acetate?
You can request a quote for Propan-2-yl(3,4-dimethoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl(3,4-dimethoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl(3,4-dimethoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.