NCI60_017849
TL;DR: NCI60_017849 (CAS 209-42-7) is a chemical compound with molecular formula C45H40N10O17S4 and molecular weight 1120.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[4-[[5-[[5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid
Also Known As: NCI60_017849, 1,7-Naphthalenedisulfonic acid, 4,4'-(carbonylbis(imino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino))bis-, 4-({[4-({[4-({[5-({5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methyl-1h-pyrrol-3-yl}carbamoyl)-1-methyl-1h-pyrrol-3-yl]carbamoyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-ylcarbonyl}amino)naphthalene-1,7-disulfonic acid, 1,7-Naphthalenedisulfonic acid, 4,4'-[carbonylbis[imino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino]]bis-, 4,4'-{Carbonylbis[azanediyl(1-methyl-1H-pyrrole-4,2-diyl)carbonylazanediyl(1-methyl-1H-pyrrole-4,2-diyl)carbonylazanediyl]}di(naphthalene-1,7-disulfonic acid)
| Molecular Formula | C45H40N10O17S4 |
|---|---|
| Molecular Weight | 1120.15 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 428.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 1120.1456 |
| Heavy Atoms | 76 |
| Complexity | 2490.0 |
Chemical Identifiers
| CAS Number | 209-42-7 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C |
| InChIKey | JENQYCHCYPVWHE-UHFFFAOYSA-N |
Product Overview
NCI60_017849 (CAS 209-42-7), with molecular formula C45H40N10O17S4 and molecular weight 1120.15 g/mol. IUPAC: 4-[[4-[[4-[[5-[[5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid.
Chemical Property Profile of NCI60_017849
Property Insights of NCI60_017849
The XLogP value of -0.4 indicates that NCI60_017849 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 428.0 Ų indicates high polarity, suggesting NCI60_017849 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_017849 has 10 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 NCI60_017849?
The CAS number of NCI60_017849 is 209-42-7.
What is the molecular formula of NCI60_017849?
The molecular formula of NCI60_017849 is C45H40N10O17S4.
What is the molecular weight of NCI60_017849?
The molecular weight of NCI60_017849 is 1120.15 g/mol.
Where can I buy NCI60_017849?
You can request a quote for NCI60_017849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_017849?
Yes, KEHONG BIO provides custom synthesis services for NCI60_017849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.