BB 30
TL;DR: BB 30 (CAS 78109-66-7) is a chemical compound with molecular formula C24H28ClN3O3 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-2,4,6-trioxo-5-phenyl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-dimethylazanium chloride
Also Known As: BB 30, Barbituric acid, 5-allyl-1-benzyl-3-(2-(dimethylamino)ethyl)-5-phenyl-, hydrochloride, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[2-(dimethylamino)ethyl]-5-phenyl-3-(phenylmethyl)-5-(2-propenyl)-, monohydrochloride, 2-(3-benzyl-2,4,6-trioxo-5-phenyl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-dimethylazanium chloride
| Molecular Formula | C24H28ClN3O3 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | -1.36 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.18192 |
| Heavy Atoms | 31 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 78109-66-7 |
|---|---|
| SMILES | C[NH+](C)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C3=CC=CC=C3.[Cl-] |
| InChIKey | WCQMBGAUUHWVDQ-UHFFFAOYSA-N |
Product Overview
BB 30 (CAS 78109-66-7), with molecular formula C24H28ClN3O3 and molecular weight 441.18 g/mol. IUPAC: 2-(3-benzyl-2,4,6-trioxo-5-phenyl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of BB 30
Property Insights of BB 30
The XLogP value of -1.36 indicates that BB 30 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 30. Following Lipinski's Rule of Five, BB 30 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 30?
The CAS number of BB 30 is 78109-66-7.
What is the molecular formula of BB 30?
The molecular formula of BB 30 is C24H28ClN3O3.
What is the molecular weight of BB 30?
The molecular weight of BB 30 is 441.18 g/mol.
Where can I buy BB 30?
You can request a quote for BB 30 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB 30?
Yes, KEHONG BIO provides custom synthesis services for BB 30 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.