2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene
TL;DR: 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene (CAS 849035-80-9) is a chemical compound with molecular formula C8H7BrClNO4S and molecular weight 326.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene
Also Known As: 2-(BROMOMETHYL)-1-CHLORO-5-(METHYLSULFONYL)-3-NITROBENZENE, 2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene, 2-Chloro-4-(methylsulphonyl)-6-nitrobenzyl bromide, 2-(Bromomethyl)-1-chloro-5-(methanesulfonyl)-3-nitrobenzene, 2-(Bromomethyl)-1-chloro-5-(methylsulphonyl)-3-nitrobenzene, 2-(Bromomethyl)-3-chloro-5-(methylsulphonyl)nitrobenzene, 4-(Bromomethyl)-3-chloro-5-nitrophenyl methyl sulphone, alpha-Bromo-2-chloro-4-(methylsulphonyl)-6-nitrotoluene
| Molecular Formula | C8H7BrClNO4S |
|---|---|
| Molecular Weight | 326.90 g/mol |
| LogP | 2.5466 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.89676 |
| Heavy Atoms | 16 |
| Complexity | 543.2144 |
Chemical Identifiers
| CAS Number | 849035-80-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1)Cl)CBr)[N+](=O)[O-] |
Product Overview
2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene (CAS 849035-80-9), with molecular formula C8H7BrClNO4S and molecular weight 326.90 g/mol. IUPAC: 2-(bromomethyl)-1-chloro-5-methylsulfonyl-3-nitrobenzene.
Chemical Property Profile of 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene
Property Insights of 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene
The XLogP value of 2.5466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene. Following Lipinski's Rule of Five, 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene has 0 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 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene?
The CAS number of 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene is 849035-80-9.
What is the molecular formula of 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene?
The molecular formula of 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene is C8H7BrClNO4S.
What is the molecular weight of 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene?
The molecular weight of 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene is 326.90 g/mol.
Where can I buy 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene?
You can request a quote for 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)-1-chloro-5-(methylsulfonyl)-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.