C21H21BrN4O
TL;DR: C21H21BrN4O (CAS 799802-19-0) is a chemical compound with molecular formula C21H21BrN4O and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-8-bromo-3-(((6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methylene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C21H21BrN4O |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 4.77502 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.08987 |
| Heavy Atoms | 27 |
| Complexity | 1214.3556 |
Chemical Identifiers
| CAS Number | 799802-19-0 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CCC4CC3C4(C)C)NC5=C2C=C(C=C5)Br |
Product Overview
C21H21BrN4O (CAS 799802-19-0), with molecular formula C21H21BrN4O and molecular weight 424.09 g/mol. IUPAC: 8-bromo-3-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of C21H21BrN4O
Property Insights of C21H21BrN4O
The XLogP value of 4.77502 indicates that C21H21BrN4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H21BrN4O. Following Lipinski's Rule of Five, C21H21BrN4O has 1 hydrogen bond donor(s) and 3 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 C21H21BrN4O?
The CAS number of C21H21BrN4O is 799802-19-0.
What is the molecular formula of C21H21BrN4O?
The molecular formula of C21H21BrN4O is C21H21BrN4O.
What is the molecular weight of C21H21BrN4O?
The molecular weight of C21H21BrN4O is 424.09 g/mol.
Where can I buy C21H21BrN4O?
You can request a quote for C21H21BrN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H21BrN4O?
Yes, KEHONG BIO provides custom synthesis services for C21H21BrN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.