BB 25
TL;DR: BB 25 (CAS 77967-02-3) is a chemical compound with molecular formula C24H36IN3O3 and molecular weight 541.18 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-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-diethyl-methylazanium iodide
Also Known As: BB 25, Barbituric acid, 5-allyl-1-benzyl-3-(2-(diethylmethylammonio)ethyl)-5-isopropyl-, iodide, Ammonium, (2-(5-allyl-1-benzyl-5-isopropyl-2,4,6(1H,3H,5H)trioxo-3-pyrimidinyl)ethyl)diethylmethyl-, iodide, 1(2H)-Pyrimidineethanaminium, N,N-diethyltetrahydro-N-methyl-5-(1-methylethyl)-2,4,6-trioxo-3-(phenylmethyl)-5-(2-propenyl)-, iodide, 2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-diethyl-methylazanium iodide
| Molecular Formula | C24H36IN3O3 |
|---|---|
| Molecular Weight | 541.18 g/mol |
| LogP | 0.69 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 541.1801 |
| Heavy Atoms | 31 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 77967-02-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C(C)C.[I-] |
| InChIKey | PTYJTADUMMXTSW-UHFFFAOYSA-M |
Product Overview
BB 25 (CAS 77967-02-3), with molecular formula C24H36IN3O3 and molecular weight 541.18 g/mol. IUPAC: 2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-diethyl-methylazanium iodide.
Chemical Property Profile of BB 25
Property Insights of BB 25
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BB 25. With a topological polar surface area (TPSA) of 57.7 Ų, BB 25 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BB 25 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BB 25?
The CAS number of BB 25 is 77967-02-3.
What is the molecular formula of BB 25?
The molecular formula of BB 25 is C24H36IN3O3.
What is the molecular weight of BB 25?
The molecular weight of BB 25 is 541.18 g/mol.
Where can I buy BB 25?
You can request a quote for BB 25 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB 25?
Yes, KEHONG BIO provides custom synthesis services for BB 25 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.