Nitr 5
TL;DR: Nitr 5 (CAS 109232-36-2) is a chemical compound with molecular formula C31H31N3O15 and molecular weight 685.17554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
{[2-(2-{2-[bis(carboxymethyl)amino]-5-[hydroxy(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy}ethoxy)-4-methylphenyl](carboxymethyl)amino}acetic acid
2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
Also Known As: nitr 5, KST-1A9831, {[2-(2-{2-[bis(carboxymethyl)amino]-5-[hydroxy(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy}ethoxy)-4-methylphenyl](carboxymethyl)amino}acetic acid, 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid, Glycine, N-(2-(2-(2-(bis(carboxymethyl)amino)-5-(hydroxy(6-nitro-1,3-benzodioxol-5-yl)methyl)phenoxy)ethoxy)-4-methylphenyl)-N-(carboxymethyl)-
Technical Specifications
| Molecular Formula | C31H31N3O15 |
| Molecular Weight | 685.17554 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 259.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 17 |
| Exact Mass | 685.17554 Da |
| Heavy Atoms | 49 |
| Complexity | 1140.0 |
| SMILES | CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)N(CC(=O)O)CC(=O)O |
| InChIKey | SQBFKIHOMAMLEJ-UHFFFAOYSA-N |
Chemical Property Profile of Nitr 5
Property Insights of Nitr 5
The XLogP value of 3.0 indicates that Nitr 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 259.0 Ų indicates high polarity, suggesting Nitr 5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitr 5 has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nitr 5?
The CAS number of Nitr 5 is 109232-36-2.
What is the molecular formula of Nitr 5?
The molecular formula of Nitr 5 is C31H31N3O15.
What is the molecular weight of Nitr 5?
The molecular weight of Nitr 5 is 685.17554 g/mol.
Where can I buy Nitr 5?
You can request a quote for Nitr 5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitr 5?
Yes, CoreyChem provides custom synthesis services for Nitr 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.