barium(2+),dibromide,dihydrate
TL;DR: barium(2+),dibromide,dihydrate (CAS 77916-99-5) is a chemical compound with molecular formula C21H21N7O2 and molecular weight 403.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-amino-2-pyridinyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Also Known As: barium(2+),dibromide,dihydrate, 2,3-Piperazinedione, 1-((6-amino-2-pyridinyl)methyl)-4-((4-(2-pyrimidinylamino)phenyl)methyl)-, 1-(2-(6-Aminopyridyl)methyl)-4-(4-(2-pyrimidinylamino)benzyl)-2,3-dioxopiperazine, 1-[(6-aminopyridin-2-yl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione, 1-((6-AMINO-PYRIDIN-2-YL)METHYL)-4-((4-(PYRIMIDIN-2-YLAMINO)PHENYL)METHYL)-2,3-PIPERAZINEDIONE
| Molecular Formula | C21H21N7O2 |
|---|---|
| Molecular Weight | 403.18 g/mol |
| LogP | 1.5684 |
| Topological Polar Surface Area | 117.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.17566 |
| Heavy Atoms | 30 |
| Complexity | 1040.7352 |
Chemical Identifiers
| CAS Number | 77916-99-5 |
|---|---|
| SMILES | C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=NC(=CC=C4)N |
Product Overview
barium(2+),dibromide,dihydrate (CAS 77916-99-5), with molecular formula C21H21N7O2 and molecular weight 403.18 g/mol. IUPAC: 1-[(6-amino-2-pyridinyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione.
Chemical Property Profile of barium(2+),dibromide,dihydrate
Property Insights of barium(2+),dibromide,dihydrate
The XLogP value of 1.5684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for barium(2+),dibromide,dihydrate. The TPSA of 117.34 Ų falls within the moderate polarity range, balancing permeability and solubility for barium(2+),dibromide,dihydrate. Following Lipinski's Rule of Five, barium(2+),dibromide,dihydrate has 2 hydrogen bond donor(s) and 7 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 barium(2+),dibromide,dihydrate?
The CAS number of barium(2+),dibromide,dihydrate is 77916-99-5.
What is the molecular formula of barium(2+),dibromide,dihydrate?
The molecular formula of barium(2+),dibromide,dihydrate is C21H21N7O2.
What is the molecular weight of barium(2+),dibromide,dihydrate?
The molecular weight of barium(2+),dibromide,dihydrate is 403.18 g/mol.
Where can I buy barium(2+),dibromide,dihydrate?
You can request a quote for barium(2+),dibromide,dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for barium(2+),dibromide,dihydrate?
Yes, KEHONG BIO provides custom synthesis services for barium(2+),dibromide,dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.