BB 20
TL;DR: BB 20 (CAS 78109-64-5) is a chemical compound with molecular formula C23H34ClN3O3 and molecular weight 435.23 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-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-diethylazanium chloride
Also Known As: BB 20, Barbituric acid, 5-allyl-1-benzyl-3-(2-(diethylamino)ethyl)-5-isopropyl-, hydrochloride, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[2-(diethylamino)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-diethylazanium chloride
| Molecular Formula | C23H34ClN3O3 |
|---|---|
| Molecular Weight | 435.23 g/mol |
| LogP | -0.88 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.22888 |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 78109-64-5 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C(C)C.[Cl-] |
| InChIKey | ANLIDJIGBZWKRP-UHFFFAOYSA-N |
Product Overview
BB 20 (CAS 78109-64-5), with molecular formula C23H34ClN3O3 and molecular weight 435.23 g/mol. IUPAC: 2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-diethylazanium chloride.
Chemical Property Profile of BB 20
Property Insights of BB 20
The XLogP value of -0.88 indicates that BB 20 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 20. Following Lipinski's Rule of Five, BB 20 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 20?
The CAS number of BB 20 is 78109-64-5.
What is the molecular formula of BB 20?
The molecular formula of BB 20 is C23H34ClN3O3.
What is the molecular weight of BB 20?
The molecular weight of BB 20 is 435.23 g/mol.
Where can I buy BB 20?
You can request a quote for BB 20 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB 20?
Yes, KEHONG BIO provides custom synthesis services for BB 20 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.