1-Allyl-2,3,4-trimethoxybenzene
TL;DR: 1-Allyl-2,3,4-trimethoxybenzene (CAS 5273-88-1) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethoxy-4-prop-2-enylbenzene
Also Known As: 1-Allyl-2,3,4-trimethoxybenzene, Benzene, 1-allyl-2,3,4-trimethoxy-, 1,2,3-trimethoxy-4-prop-2-enylbenzene, 1-(2-Propenyl)-2,3,4-trimethoxybenzene, 1,2,3-trimethoxy-4-(prop-2-en-1-yl)benzene
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.4409 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 344.96564 |
Chemical Identifiers
| CAS Number | 5273-88-1 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CC=C)OC)OC |
Product Overview
1-Allyl-2,3,4-trimethoxybenzene (CAS 5273-88-1), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1,2,3-trimethoxy-4-prop-2-enylbenzene.
Chemical Property Profile of 1-Allyl-2,3,4-trimethoxybenzene
Property Insights of 1-Allyl-2,3,4-trimethoxybenzene
The XLogP value of 2.4409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-2,3,4-trimethoxybenzene. With a topological polar surface area (TPSA) of 27.69 Ų, 1-Allyl-2,3,4-trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-2,3,4-trimethoxybenzene has 0 hydrogen bond donor(s) and 3 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-Allyl-2,3,4-trimethoxybenzene?
The CAS number of 1-Allyl-2,3,4-trimethoxybenzene is 5273-88-1.
What is the molecular formula of 1-Allyl-2,3,4-trimethoxybenzene?
The molecular formula of 1-Allyl-2,3,4-trimethoxybenzene is C12H16O3.
What is the molecular weight of 1-Allyl-2,3,4-trimethoxybenzene?
The molecular weight of 1-Allyl-2,3,4-trimethoxybenzene is 208.11 g/mol.
Where can I buy 1-Allyl-2,3,4-trimethoxybenzene?
You can request a quote for 1-Allyl-2,3,4-trimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2,3,4-trimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2,3,4-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.