Barbipyrine
TL;DR: Barbipyrine (CAS 8015-18-7) is a chemical compound with molecular formula C21H29N5O4 and molecular weight 415.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1,3-diazinane-2,4,6-trione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: Barbipyrine, Barbimon, Cotalmon, Pyramon, Sedalon
| Molecular Formula | C21H29N5O4 |
|---|---|
| Molecular Weight | 415.22 g/mol |
| LogP | 1.70922 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.22195 |
| Heavy Atoms | 30 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 8015-18-7 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C |
| InChIKey | OUTUZEBQXNEVGY-UHFFFAOYSA-N |
Product Overview
Barbipyrine (CAS 8015-18-7), with molecular formula C21H29N5O4 and molecular weight 415.22 g/mol. IUPAC: 5,5-diethyl-1,3-diazinane-2,4,6-trione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of Barbipyrine
Property Insights of Barbipyrine
The XLogP value of 1.70922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbipyrine. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbipyrine. Following Lipinski's Rule of Five, Barbipyrine has 2 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 Barbipyrine?
The CAS number of Barbipyrine is 8015-18-7.
What is the molecular formula of Barbipyrine?
The molecular formula of Barbipyrine is C21H29N5O4.
What is the molecular weight of Barbipyrine?
The molecular weight of Barbipyrine is 415.22 g/mol.
Where can I buy Barbipyrine?
You can request a quote for Barbipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbipyrine?
Yes, KEHONG BIO provides custom synthesis services for Barbipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.