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Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate
TL;DR: Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate (CAS 1164556-10-8) is a chemical compound with molecular formula C17H20O8 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoate
Also Known As: butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate, (E)-butyl 3-(3,4-bis((methoxycarbonyl)oxy)phenyl)acrylate, AE-848/32736031, butyl (E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoate, (E)-3-(3,4-Bis-methoxycarbonyloxy-phenyl)-acrylic acid butyl ester
| Molecular Formula | C17H20O8 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 3.3335 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.1158 |
| Heavy Atoms | 25 |
| Complexity | 635.53503 |
Chemical Identifiers
| CAS Number | 1164556-10-8 |
|---|---|
| SMILES | CCCCOC(=O)/C=C/C1=CC(=C(C=C1)OC(=O)OC)OC(=O)OC |
Product Overview
Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate (CAS 1164556-10-8), with molecular formula C17H20O8 and molecular weight 352.12 g/mol. IUPAC: butyl (E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoate.
Chemical Property Profile of Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate
Property Insights of Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate
The XLogP value of 3.3335 indicates that Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate. Following Lipinski's Rule of Five, Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate has 0 hydrogen bond donor(s) and 8 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 Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate?
The CAS number of Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate is 1164556-10-8.
What is the molecular formula of Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate?
The molecular formula of Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate is C17H20O8.
What is the molecular weight of Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate?
The molecular weight of Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate is 352.12 g/mol.
Where can I buy Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate?
You can request a quote for Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-{3,4-bis[(methoxycarbonyl)oxy]phenyl}acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.