Papaverine phenylethyl barbiturate
TL;DR: Papaverine phenylethyl barbiturate (CAS 5949-36-0) is a chemical compound with molecular formula C32H33N3O7 and molecular weight 571.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Papaverine phenylethyl barbiturate, EINECS 227-711-0, PAPAVERINE PHENYLETHYL BARBITURATE [WHO-DD], 5-Ethyl-5-phenylbarbituric acid, compound with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1), ISOQUINOLINE, 6,7-DIMETHOXY-1-VERATRYL-, 5-ETHYL-5-PHENYLBARBITURATE
| Molecular Formula | C32H33N3O7 |
|---|---|
| Molecular Weight | 571.23 g/mol |
| LogP | 4.5604 |
| Topological Polar Surface Area | 125.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 571.2319 |
| Heavy Atoms | 42 |
| Complexity | 1585.0421 |
Chemical Identifiers
| CAS Number | 5949-36-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
Product Overview
Papaverine phenylethyl barbiturate (CAS 5949-36-0), with molecular formula C32H33N3O7 and molecular weight 571.23 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Papaverine phenylethyl barbiturate
Property Insights of Papaverine phenylethyl barbiturate
The XLogP value of 4.5604 indicates that Papaverine phenylethyl barbiturate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Papaverine phenylethyl barbiturate. Following Lipinski's Rule of Five, Papaverine phenylethyl barbiturate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Papaverine phenylethyl barbiturate?
The CAS number of Papaverine phenylethyl barbiturate is 5949-36-0.
What is the molecular formula of Papaverine phenylethyl barbiturate?
The molecular formula of Papaverine phenylethyl barbiturate is C32H33N3O7.
What is the molecular weight of Papaverine phenylethyl barbiturate?
The molecular weight of Papaverine phenylethyl barbiturate is 571.23 g/mol.
Where can I buy Papaverine phenylethyl barbiturate?
You can request a quote for Papaverine phenylethyl barbiturate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Papaverine phenylethyl barbiturate?
Yes, KEHONG BIO provides custom synthesis services for Papaverine phenylethyl barbiturate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.