RefChem:416349
TL;DR: RefChem:416349 (CAS 71750-84-0) is a chemical compound with molecular formula C34H25Cl3N10O11S3 and molecular weight 949.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]benzoyl]amino]-2-sulfophenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid
Also Known As: 1,4-Benzenedisulfonic acid, 2-(4,5-dihydro-3-methyl-4-((4-((4-((2-methyl-4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)benzoyl)amino)-2-sulfophenyl)azo)-5-oxo-1H-pyrazol-1-yl)-, 1,4-Benzenedisulfonic acid, 2-(4,5-dihydro-3-methyl-4-(2-(4-((4-(2-(2-methyl-4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)benzoyl)amino)-2-sulfophenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-, 1,4-Benzenedisulfonic acid, 2-[4,5-dihydro-3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]benzoyl]amino]-2-sulfophenyl]azo]-5-oxo-1H-pyrazol-1-yl]-, 1,4-Benzenedisulfonic acid, 2-[4,5-dihydro-3-methyl-4-[2-[4-[[4-[2-[2-methyl-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl]benzoyl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1H-pyrazol-1-yl]-, 2-[3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]benzoyl]amino]-2-sulfophenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid
| Molecular Formula | C34H25Cl3N10O11S3 |
|---|---|
| Molecular Weight | 949.99 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 337.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 949.9932 |
| Heavy Atoms | 61 |
| Complexity | 2030.0 |
Chemical Identifiers
| CAS Number | 71750-84-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)Cl)Cl)Cl)N=NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)N=NC5C(=NN(C5=O)C6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O |
| InChIKey | XDPRLVPAYAGRLO-UHFFFAOYSA-N |
Product Overview
RefChem:416349 (CAS 71750-84-0), with molecular formula C34H25Cl3N10O11S3 and molecular weight 949.99 g/mol. IUPAC: 2-[3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]benzoyl]amino]-2-sulfophenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid.
Chemical Property Profile of RefChem:416349
Property Insights of RefChem:416349
The XLogP value of 5.2 indicates that RefChem:416349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 337.0 Ų indicates high polarity, suggesting RefChem:416349 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:416349 has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:416349?
The CAS number of RefChem:416349 is 71750-84-0.
What is the molecular formula of RefChem:416349?
The molecular formula of RefChem:416349 is C34H25Cl3N10O11S3.
What is the molecular weight of RefChem:416349?
The molecular weight of RefChem:416349 is 949.99 g/mol.
Where can I buy RefChem:416349?
You can request a quote for RefChem:416349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:416349?
Yes, KEHONG BIO provides custom synthesis services for RefChem:416349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.