C19H19BrN4O
TL;DR: C19H19BrN4O (CAS 799778-17-9) is a chemical compound with molecular formula C19H19BrN4O and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-2-methyl-3-[(E)-(4-methylcyclohex-3-en-1-yl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-8-bromo-2-methyl-3-(((4-methylcyclohex-3-en-1-yl)methylene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-bromo-2-methyl-3-{[(E)-(4-methylcyclohex-3-en-1-yl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H19BrN4O |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 4.52902 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.07422 |
| Heavy Atoms | 25 |
| Complexity | 1090.1766 |
Chemical Identifiers
| CAS Number | 799778-17-9 |
|---|---|
| SMILES | CC1=CCC(CC1)/C=N/N2C(=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)C |
Product Overview
C19H19BrN4O (CAS 799778-17-9), with molecular formula C19H19BrN4O and molecular weight 398.07 g/mol. IUPAC: 8-bromo-2-methyl-3-[(E)-(4-methylcyclohex-3-en-1-yl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of C19H19BrN4O
Property Insights of C19H19BrN4O
The XLogP value of 4.52902 indicates that C19H19BrN4O 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 C19H19BrN4O. Following Lipinski's Rule of Five, C19H19BrN4O 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 C19H19BrN4O?
The CAS number of C19H19BrN4O is 799778-17-9.
What is the molecular formula of C19H19BrN4O?
The molecular formula of C19H19BrN4O is C19H19BrN4O.
What is the molecular weight of C19H19BrN4O?
The molecular weight of C19H19BrN4O is 398.07 g/mol.
Where can I buy C19H19BrN4O?
You can request a quote for C19H19BrN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H19BrN4O?
Yes, KEHONG BIO provides custom synthesis services for C19H19BrN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.