4-chloro-2-methoxybenzyl bromide
TL;DR: 4-chloro-2-methoxybenzyl bromide (CAS 76283-90-4) is a chemical compound with molecular formula C26H25NO6S and molecular weight 479.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenylheptane-1,7-dione
Also Known As: 4-chloro-2-methoxybenzyl bromide, 4-nitro-1,7-diphenyl-4-tosylheptane-1,7-dione, 4-(Hydroxy(oxido)amino)-4-((4-methylphenyl)sulfonyl)-1,7-diphenyl-1,7-heptanedione, 4-nitro-1,7-diphenyl-4-(p-tolylsulfonyl)heptane-1,7-dione, 4-(4-methylbenzenesulfonyl)-4-nitro-1,7-diphenylheptane-1,7-dione
| Molecular Formula | C26H25NO6S |
|---|---|
| Molecular Weight | 479.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 479.14026 |
| Heavy Atoms | 34 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 76283-90-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C2=CC=CC=C2)(CCC(=O)C3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | VCXHLSGWHVDFML-UHFFFAOYSA-N |
Product Overview
4-chloro-2-methoxybenzyl bromide (CAS 76283-90-4), with molecular formula C26H25NO6S and molecular weight 479.14 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenylheptane-1,7-dione.
Chemical Property Profile of 4-chloro-2-methoxybenzyl bromide
Property Insights of 4-chloro-2-methoxybenzyl bromide
The XLogP value of 4.6 indicates that 4-chloro-2-methoxybenzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-methoxybenzyl bromide. Following Lipinski's Rule of Five, 4-chloro-2-methoxybenzyl bromide has 0 hydrogen bond donor(s) and 6 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-chloro-2-methoxybenzyl bromide?
The CAS number of 4-chloro-2-methoxybenzyl bromide is 76283-90-4.
What is the molecular formula of 4-chloro-2-methoxybenzyl bromide?
The molecular formula of 4-chloro-2-methoxybenzyl bromide is C26H25NO6S.
What is the molecular weight of 4-chloro-2-methoxybenzyl bromide?
The molecular weight of 4-chloro-2-methoxybenzyl bromide is 479.14 g/mol.
Where can I buy 4-chloro-2-methoxybenzyl bromide?
You can request a quote for 4-chloro-2-methoxybenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2-methoxybenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-methoxybenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.