Ajmaline ethylphenylbarbiturate
TL;DR: Ajmaline ethylphenylbarbiturate (CAS 21290-16-4) is a chemical compound with molecular formula C32H38N4O5 and molecular weight 558.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12R,13R,14S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Ajmaline ethylphenylbarbiturate, Ajmaline phenylethylbarbiturate, EINECS 244-316-9, Ajmaline, compound with 5-ethyl-5-phenylbarbituric acid, Barbituric acid, 5-ethyl-5-phenyl-, compd. with ajmaline
| Molecular Formula | C32H38N4O5 |
|---|---|
| Molecular Weight | 558.28 g/mol |
| LogP | 2.2549 |
| Topological Polar Surface Area | 122.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 558.28424 |
| Heavy Atoms | 41 |
| Complexity | 1395.8082 |
Chemical Identifiers
| CAS Number | 21290-16-4 |
|---|---|
| SMILES | CC[C@@H]1[C@@H]2CC3C4C5(C[C@@H](C2C5O)N3[C@H]1O)C6=CC=CC=C6N4C.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 |
Product Overview
Ajmaline ethylphenylbarbiturate (CAS 21290-16-4), with molecular formula C32H38N4O5 and molecular weight 558.28 g/mol. IUPAC: (12R,13R,14S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Ajmaline ethylphenylbarbiturate
Property Insights of Ajmaline ethylphenylbarbiturate
The XLogP value of 2.2549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajmaline ethylphenylbarbiturate. The TPSA of 122.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajmaline ethylphenylbarbiturate. Following Lipinski's Rule of Five, Ajmaline ethylphenylbarbiturate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ajmaline ethylphenylbarbiturate?
The CAS number of Ajmaline ethylphenylbarbiturate is 21290-16-4.
What is the molecular formula of Ajmaline ethylphenylbarbiturate?
The molecular formula of Ajmaline ethylphenylbarbiturate is C32H38N4O5.
What is the molecular weight of Ajmaline ethylphenylbarbiturate?
The molecular weight of Ajmaline ethylphenylbarbiturate is 558.28 g/mol.
Where can I buy Ajmaline ethylphenylbarbiturate?
You can request a quote for Ajmaline ethylphenylbarbiturate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmaline ethylphenylbarbiturate?
Yes, KEHONG BIO provides custom synthesis services for Ajmaline ethylphenylbarbiturate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.