BB 40
TL;DR: BB 40 (CAS 78109-68-9) is a chemical compound with molecular formula C24H34BrN3O3 and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide
Also Known As: BB 40, Barbituric acid, 5-allyl-1-benzyl-3-(2-piperidinoethyl)-5-isopropyl-, hydrobromide, 1-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-1-(phenylmethyl)-3-[2-(1-piperidinyl)ethyl]-5-(2-propenyl)-, monohydrobromide
| Molecular Formula | C24H34BrN3O3 |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | -0.73 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.17834 |
| Heavy Atoms | 31 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 78109-68-9 |
|---|---|
| SMILES | CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+]3CCCCC3)CC=C.[Br-] |
| InChIKey | OTIBKFDPUXZTBX-UHFFFAOYSA-N |
Product Overview
BB 40 (CAS 78109-68-9), with molecular formula C24H34BrN3O3 and molecular weight 491.18 g/mol. IUPAC: 1-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide.
Chemical Property Profile of BB 40
Property Insights of BB 40
The XLogP value of -0.73 indicates that BB 40 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BB 40. Following Lipinski's Rule of Five, BB 40 has 1 hydrogen bond donor(s) and 4 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 BB 40?
The CAS number of BB 40 is 78109-68-9.
What is the molecular formula of BB 40?
The molecular formula of BB 40 is C24H34BrN3O3.
What is the molecular weight of BB 40?
The molecular weight of BB 40 is 491.18 g/mol.
Where can I buy BB 40?
You can request a quote for BB 40 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB 40?
Yes, KEHONG BIO provides custom synthesis services for BB 40 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.