![1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- structure](/static/products/2127/212765-33-8.webp)
1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-
TL;DR: 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- (CAS 212765-33-8) is a chemical compound with molecular formula C43H38N12O17S4 and molecular weight 1122.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[3-[[4-[[5-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrazole-5-carbonyl]amino]naphthalene-1,3-disulfonic acid
Also Known As: 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-, 7-({[3-({[4-({[5-({5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methyl-1h-pyrazol-3-yl}carbamoyl)-1-methyl-1h-pyrrol-3-yl]carbamoyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrazol-5-yl]carbonyl}amino)naphthalene-1,3-disulfonic acid, 7-[[5-[[4-[[5-[[5-[(6,8-disulfo-2-naphthyl)carbamoyl]-1-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-2-methyl-pyrazole-3-carbonyl]amino]naphthalene-1,3-disulfonic acid, 7-[[5-[[4-[[5-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carbonyl]amino]naphthalene-1,3-disulfonic acid
| Molecular Formula | C43H38N12O17S4 |
|---|---|
| Molecular Weight | 1122.14 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 454.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 1122.1361 |
| Heavy Atoms | 76 |
| Complexity | 2490.0 |
Chemical Identifiers
| CAS Number | 212765-33-8 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=NN(C(=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=NN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C |
| InChIKey | DSXMKWIIIMWKGR-UHFFFAOYSA-N |
Product Overview
1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- (CAS 212765-33-8), with molecular formula C43H38N12O17S4 and molecular weight 1122.14 g/mol. IUPAC: 7-[[3-[[4-[[5-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrazole-5-carbonyl]amino]naphthalene-1,3-disulfonic acid.
Chemical Property Profile of 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-
Property Insights of 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-
The XLogP value of -0.6 indicates that 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 454.0 Ų indicates high polarity, suggesting 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- has 10 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 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-?
The CAS number of 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- is 212765-33-8.
What is the molecular formula of 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-?
The molecular formula of 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- is C43H38N12O17S4.
What is the molecular weight of 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-?
The molecular weight of 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- is 1122.14 g/mol.
Where can I buy 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-?
You can request a quote for 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Napthalenedisulfonic acid, 7,7'-[carbonylbis[imino(1-methyl-1H-pyrrole-3,5-diyl)carbonylimino(1-methyl-1H-pyrazole-4,2-diyl)carbonyl-imino]]bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.