BB 29
TL;DR: BB 29 (CAS 78109-65-6) is a chemical compound with molecular formula C21H30ClN3O3 and molecular weight 407.19757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
BB-29
2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-dimethylazanium chloride
Also Known As: BB 29, Barbituric acid, 5-allyl-1-benzyl-3-(2-(dimethylamino)ethyl)-5-isopropyl-, hydrochloride, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[2-(dimethylamino)ethyl]-5-(1-methylethyl)-3-(phenylmethyl)-5-(2-propenyl)-, monohydrochloride, 2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-dimethylazanium chloride
Technical Specifications
| Molecular Formula | C21H30ClN3O3 |
| Molecular Weight | 407.19757 g/mol |
| XLogP | -1.66 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.19757 Da |
| Heavy Atoms | 28 |
| Complexity | 581.0 |
| SMILES | CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+](C)C)CC=C.[Cl-] |
| InChIKey | ANQNNBDIHLKZCC-UHFFFAOYSA-N |
Chemical Property Profile of BB 29
Property Insights of BB 29
The XLogP value of -1.66 indicates that BB 29 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 29. Following Lipinski's Rule of Five, BB 29 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
What is the CAS number of BB 29?
The CAS number of BB 29 is 78109-65-6.
What is the molecular formula of BB 29?
The molecular formula of BB 29 is C21H30ClN3O3.
What is the molecular weight of BB 29?
The molecular weight of BB 29 is 407.19757 g/mol.
Where can I buy BB 29?
You can request a quote for BB 29 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BB 29?
Yes, CoreyChem provides custom synthesis services for BB 29 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.