Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-
TL;DR: Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- (CAS 72797-19-4) is a chemical compound with molecular formula C27H34Cl2N6O6S2 and molecular weight 672.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-4-[[2-(dibutylamino)-4-methyl-6-[2-(4-sulfophenyl)ethylamino]pyrimidin-5-yl]diazenyl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-, Benzenesulfonic acid, 2,5-dichloro-4-(2-(2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)diazenyl)-, Benzenesulfonic acid, 2,5-dichloro-4-[[2-(dibutylamino)-4-methyl-6-[[2-(4-sulfophenyl)ethyl]amino]-5-pyrimidinyl]azo]-, 2,5-Dichloro-4-[[2- -4-methyl-6-[[2- ethyl]amino]-5-pyrimidinyl]azo]benzenesulfonicacid, 2,5-Dichloro-4-(2-(2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)diazenyl)benzenesulfonic acid
| Molecular Formula | C27H34Cl2N6O6S2 |
|---|---|
| Molecular Weight | 672.14 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 672.1358 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 72797-19-4 |
|---|---|
| SMILES | CCCCN(CCCC)C1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)C |
| InChIKey | YAGUHXZPUOGJBG-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- (CAS 72797-19-4), with molecular formula C27H34Cl2N6O6S2 and molecular weight 672.14 g/mol. IUPAC: 2,5-dichloro-4-[[2-(dibutylamino)-4-methyl-6-[2-(4-sulfophenyl)ethylamino]pyrimidin-5-yl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-
Property Insights of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-
The XLogP value of 6.4 indicates that Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-?
The CAS number of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- is 72797-19-4.
What is the molecular formula of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-?
The molecular formula of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- is C27H34Cl2N6O6S2.
What is the molecular weight of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-?
The molecular weight of Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- is 672.14 g/mol.
Where can I buy Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-?
You can request a quote for Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2,5-dichloro-4-((2-(dibutylamino)-4-methyl-6-((2-(4-sulfophenyl)ethyl)amino)-5-pyrimidinyl)azo)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.