3,7-dimethyloctyl chloride
TL;DR: 3,7-dimethyloctyl chloride (CAS 66261-70-9) is a chemical compound with molecular formula C33H22ClN8Na3O9S3 and molecular weight 874.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[[4-[[4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate
Also Known As: 3,7-dimethyloctyl chloride, EINECS 266-284-5, Trisodium 2-((4-((4-((4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonate, 2-[[4-[[4-[(4-Chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-7-(sodiooxysulfonyl)-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-1,4-benzenedisulfonic acid disodium salt, trisodium 2-[[4-[[4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate
| Molecular Formula | C33H22ClN8Na3O9S3 |
|---|---|
| Molecular Weight | 874.01 g/mol |
| LogP | -1.73926 |
| Topological Polar Surface Area | 271.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 874.0054 |
| Heavy Atoms | 57 |
| Complexity | 2893.9868 |
Chemical Identifiers
| CAS Number | 66261-70-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC3=C4C=C(C=CC4=C(C=C3)NC5=NC(=NC(=N5)C6=CC=CC=C6)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
3,7-dimethyloctyl chloride (CAS 66261-70-9), with molecular formula C33H22ClN8Na3O9S3 and molecular weight 874.01 g/mol. IUPAC: trisodium;2-[[4-[[4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate.
Chemical Property Profile of 3,7-dimethyloctyl chloride
Property Insights of 3,7-dimethyloctyl chloride
The XLogP value of -1.73926 indicates that 3,7-dimethyloctyl chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.74 Ų indicates high polarity, suggesting 3,7-dimethyloctyl chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7-dimethyloctyl chloride has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-dimethyloctyl chloride?
The CAS number of 3,7-dimethyloctyl chloride is 66261-70-9.
What is the molecular formula of 3,7-dimethyloctyl chloride?
The molecular formula of 3,7-dimethyloctyl chloride is C33H22ClN8Na3O9S3.
What is the molecular weight of 3,7-dimethyloctyl chloride?
The molecular weight of 3,7-dimethyloctyl chloride is 874.01 g/mol.
Where can I buy 3,7-dimethyloctyl chloride?
You can request a quote for 3,7-dimethyloctyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dimethyloctyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dimethyloctyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.