4-bromo-3-fluoro-2-methyl-6-nitroaniline
TL;DR: 4-bromo-3-fluoro-2-methyl-6-nitroaniline (CAS 848729-81-7) is a chemical compound with molecular formula C20H25N5OS and molecular weight 383.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
Also Known As: 4-bromo-3-fluoro-2-methyl-6-nitroaniline, N-(butan-2-yl)-4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine, N-(sec-butyl)-4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
| Molecular Formula | C20H25N5OS |
|---|---|
| Molecular Weight | 383.18 g/mol |
| LogP | 3.7752 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.17798 |
| Heavy Atoms | 27 |
| Complexity | 995.10516 |
Chemical Identifiers
| CAS Number | 848729-81-7 |
|---|---|
| SMILES | CCC(C)NC1=NC=NC2=C1SC3=C2C4=C(CCC4)C(=N3)N5CCOCC5 |
Product Overview
4-bromo-3-fluoro-2-methyl-6-nitroaniline (CAS 848729-81-7), with molecular formula C20H25N5OS and molecular weight 383.18 g/mol. IUPAC: N-butan-2-yl-7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.
Chemical Property Profile of 4-bromo-3-fluoro-2-methyl-6-nitroaniline
Property Insights of 4-bromo-3-fluoro-2-methyl-6-nitroaniline
The XLogP value of 3.7752 indicates that 4-bromo-3-fluoro-2-methyl-6-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-3-fluoro-2-methyl-6-nitroaniline. Following Lipinski's Rule of Five, 4-bromo-3-fluoro-2-methyl-6-nitroaniline has 1 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 4-bromo-3-fluoro-2-methyl-6-nitroaniline?
The CAS number of 4-bromo-3-fluoro-2-methyl-6-nitroaniline is 848729-81-7.
What is the molecular formula of 4-bromo-3-fluoro-2-methyl-6-nitroaniline?
The molecular formula of 4-bromo-3-fluoro-2-methyl-6-nitroaniline is C20H25N5OS.
What is the molecular weight of 4-bromo-3-fluoro-2-methyl-6-nitroaniline?
The molecular weight of 4-bromo-3-fluoro-2-methyl-6-nitroaniline is 383.18 g/mol.
Where can I buy 4-bromo-3-fluoro-2-methyl-6-nitroaniline?
You can request a quote for 4-bromo-3-fluoro-2-methyl-6-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-3-fluoro-2-methyl-6-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-3-fluoro-2-methyl-6-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.