3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester
TL;DR: 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester (CAS 355121-57-2) is a chemical compound with molecular formula C16H17BrO4 and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-bromo-3,5-bis(prop-2-enoxy)benzoate
Also Known As: ICCB1_000151, 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester, prop-2-enyl 4-bromo-3,5-bis(prop-2-enoxy)benzoate, 2-Propen-1-yl 4-bromo-3,5-bis(2-propen-1-yloxy)benzoate, Prop-2-en-1-yl 4-bromo-3,5-bis[(prop-2-en-1-yl)oxy]benzoate
| Molecular Formula | C16H17BrO4 |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 3.9215 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.031 |
| Heavy Atoms | 21 |
| Complexity | 504.07367 |
Chemical Identifiers
| CAS Number | 355121-57-2 |
|---|---|
| SMILES | C=CCOC1=CC(=CC(=C1Br)OCC=C)C(=O)OCC=C |
Product Overview
3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester (CAS 355121-57-2), with molecular formula C16H17BrO4 and molecular weight 352.03 g/mol. IUPAC: prop-2-enyl 4-bromo-3,5-bis(prop-2-enoxy)benzoate.
Chemical Property Profile of 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester
Property Insights of 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester
The XLogP value of 3.9215 indicates that 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester 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 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester?
The CAS number of 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester is 355121-57-2.
What is the molecular formula of 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester?
The molecular formula of 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester is C16H17BrO4.
What is the molecular weight of 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester?
The molecular weight of 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester is 352.03 g/mol.
Where can I buy 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester?
You can request a quote for 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis-allyloxy-4-bromo-benzoic acid allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.