1-Methylethyl 3,4,5-trimethoxybenzoate
TL;DR: 1-Methylethyl 3,4,5-trimethoxybenzoate (CAS 6510-89-0) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3,4,5-trimethoxybenzoate
Also Known As: 1-Methylethyl 3,4,5-trimethoxybenzoate, propan-2-yl 3,4,5-trimethoxybenzoate, isopropyl 3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxybenzoic acid isopropyl ester, 3,4,5-Trimethoxybenzoic acid 1-methylethyl ester
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 6510-89-0 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | WSGQQLRXHFUPKV-UHFFFAOYSA-N |
Product Overview
1-Methylethyl 3,4,5-trimethoxybenzoate (CAS 6510-89-0), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: propan-2-yl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 1-Methylethyl 3,4,5-trimethoxybenzoate
Property Insights of 1-Methylethyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, 1-Methylethyl 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl 3,4,5-trimethoxybenzoate 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 1-Methylethyl 3,4,5-trimethoxybenzoate?
The CAS number of 1-Methylethyl 3,4,5-trimethoxybenzoate is 6510-89-0.
What is the molecular formula of 1-Methylethyl 3,4,5-trimethoxybenzoate?
The molecular formula of 1-Methylethyl 3,4,5-trimethoxybenzoate is C13H18O5.
What is the molecular weight of 1-Methylethyl 3,4,5-trimethoxybenzoate?
The molecular weight of 1-Methylethyl 3,4,5-trimethoxybenzoate is 254.12 g/mol.
Where can I buy 1-Methylethyl 3,4,5-trimethoxybenzoate?
You can request a quote for 1-Methylethyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.