C21H16BrN5O
TL;DR: C21H16BrN5O (CAS 372976-51-7) is a chemical compound with molecular formula C21H16BrN5O and molecular weight 433.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
Also Known As: BAS 00739344, (2-Pyridin-2-yl-benzoimidazol-1-yl)-acetic acid (4-bromo-benzylidene)-hydrazide, (E)-N'-(4-bromobenzylidene)-2-(2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)acetohydrazide, N'-[(E)-(4-bromophenyl)methylidene]-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetohydrazide
| Molecular Formula | C21H16BrN5O |
|---|---|
| Molecular Weight | 433.05 g/mol |
| LogP | 4.0111 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.05383 |
| Heavy Atoms | 28 |
| Complexity | 1136.6545 |
Chemical Identifiers
| CAS Number | 372976-51-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CC(=O)N/N=C/C3=CC=C(C=C3)Br)C4=CC=CC=N4 |
Product Overview
C21H16BrN5O (CAS 372976-51-7), with molecular formula C21H16BrN5O and molecular weight 433.05 g/mol. IUPAC: N-[(E)-(4-bromophenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
Chemical Property Profile of C21H16BrN5O
Property Insights of C21H16BrN5O
The XLogP value of 4.0111 indicates that C21H16BrN5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H16BrN5O. Following Lipinski's Rule of Five, C21H16BrN5O 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 C21H16BrN5O?
The CAS number of C21H16BrN5O is 372976-51-7.
What is the molecular formula of C21H16BrN5O?
The molecular formula of C21H16BrN5O is C21H16BrN5O.
What is the molecular weight of C21H16BrN5O?
The molecular weight of C21H16BrN5O is 433.05 g/mol.
Where can I buy C21H16BrN5O?
You can request a quote for C21H16BrN5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H16BrN5O?
Yes, KEHONG BIO provides custom synthesis services for C21H16BrN5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.