BB 39
TL;DR: BB 39 (CAS 78109-67-8) is a chemical compound with molecular formula C23H32ClN3O4 and molecular weight 449.20813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
BB-39
1-benzyl-3-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione chloride
Also Known As: BB 39, Barbituric acid, 5-allyl-1-benzyl-3-(2-morpholinoethyl)-5-isopropyl-, hydrochloride, 1-benzyl-3-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione chloride, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-1-[2-(4-morpholinyl)ethyl]-3-(phenylmethyl)-5-(2-propenyl)-, monohydrochloride
Technical Specifications
| Molecular Formula | C23H32ClN3O4 |
| Molecular Weight | 449.20813 g/mol |
| XLogP | -1.88 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.20813 Da |
| Heavy Atoms | 31 |
| Complexity | 653.0 |
| SMILES | CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+]3CCOCC3)CC=C.[Cl-] |
| InChIKey | BKIYECRDVFOLOB-UHFFFAOYSA-N |
Chemical Property Profile of BB 39
Property Insights of BB 39
The XLogP value of -1.88 indicates that BB 39 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BB 39. Following Lipinski's Rule of Five, BB 39 has 1 hydrogen bond donor(s) and 5 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 39?
The CAS number of BB 39 is 78109-67-8.
What is the molecular formula of BB 39?
The molecular formula of BB 39 is C23H32ClN3O4.
What is the molecular weight of BB 39?
The molecular weight of BB 39 is 449.20813 g/mol.
Where can I buy BB 39?
You can request a quote for BB 39 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BB 39?
Yes, CoreyChem provides custom synthesis services for BB 39 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.