Naphthalenetricarboxylic acid,methyl
TL;DR: Naphthalenetricarboxylic acid,methyl (CAS 117652-19-4) is a chemical compound with molecular formula C13H15N2O9P and molecular weight 374.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: Naphthalenetricarboxylic acid,methyl, ((5-(5-Ethynyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid, ((5-(5-Ethynyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid, {[5-(5-Ethynyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid, 1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxy-beta-D-erythro-pentofuranosyl}-5-ethynyl-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C13H15N2O9P |
|---|---|
| Molecular Weight | 374.05 g/mol |
| LogP | -1.5471 |
| Topological Polar Surface Area | 168.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.0515 |
| Heavy Atoms | 25 |
| Complexity | 867.47626 |
Chemical Identifiers
| CAS Number | 117652-19-4 |
|---|---|
| SMILES | C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O |
Product Overview
Naphthalenetricarboxylic acid,methyl (CAS 117652-19-4), with molecular formula C13H15N2O9P and molecular weight 374.05 g/mol. IUPAC: 2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid.
Chemical Property Profile of Naphthalenetricarboxylic acid,methyl
Property Insights of Naphthalenetricarboxylic acid,methyl
The XLogP value of -1.5471 indicates that Naphthalenetricarboxylic acid,methyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.15 Ų indicates high polarity, suggesting Naphthalenetricarboxylic acid,methyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naphthalenetricarboxylic acid,methyl has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphthalenetricarboxylic acid,methyl?
The CAS number of Naphthalenetricarboxylic acid,methyl is 117652-19-4.
What is the molecular formula of Naphthalenetricarboxylic acid,methyl?
The molecular formula of Naphthalenetricarboxylic acid,methyl is C13H15N2O9P.
What is the molecular weight of Naphthalenetricarboxylic acid,methyl?
The molecular weight of Naphthalenetricarboxylic acid,methyl is 374.05 g/mol.
Where can I buy Naphthalenetricarboxylic acid,methyl?
You can request a quote for Naphthalenetricarboxylic acid,methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalenetricarboxylic acid,methyl?
Yes, KEHONG BIO provides custom synthesis services for Naphthalenetricarboxylic acid,methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.