3,4-Dacp
TL;DR: 3,4-Dacp (CAS 110882-08-1) is a chemical compound with molecular formula C17H17NO6 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-[3-oxo-3-(2-oxopyrrolidin-1-yl)prop-1-enyl]phenyl] acetate
Also Known As: 3,4-Dacp, N-(3,4-Diacetoxycinnamoyl)-2-pyrrolidone, 2-Pyrrolidinone,1-[3-[3,4-bis(acetyloxy)phenyl]-1-oxo-2-propen-1-yl]-, 1-(3-(3,4-Bis(acetyloxy)phenyl)-1-oxo-2-propenyl)-2-pyrrolidinone
| Molecular Formula | C17H17NO6 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 1.6994 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1056 |
| Heavy Atoms | 24 |
| Complexity | 721.791 |
Chemical Identifiers
| CAS Number | 110882-08-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=CC(=O)N2CCCC2=O)OC(=O)C |
Product Overview
3,4-Dacp (CAS 110882-08-1), with molecular formula C17H17NO6 and molecular weight 331.11 g/mol. IUPAC: [2-acetyloxy-4-[3-oxo-3-(2-oxopyrrolidin-1-yl)prop-1-enyl]phenyl] acetate.
Chemical Property Profile of 3,4-Dacp
Property Insights of 3,4-Dacp
The XLogP value of 1.6994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dacp. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dacp. Following Lipinski's Rule of Five, 3,4-Dacp has 0 hydrogen bond donor(s) and 6 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 3,4-Dacp?
The CAS number of 3,4-Dacp is 110882-08-1.
What is the molecular formula of 3,4-Dacp?
The molecular formula of 3,4-Dacp is C17H17NO6.
What is the molecular weight of 3,4-Dacp?
The molecular weight of 3,4-Dacp is 331.11 g/mol.
Where can I buy 3,4-Dacp?
You can request a quote for 3,4-Dacp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dacp?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dacp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.