Naphthyl-2-methyl-succinyl-CoA
TL;DR: Naphthyl-2-methyl-succinyl-CoA (CAS 830357-87-4) is a chemical compound with molecular formula C36H48N7O19P3S and molecular weight 1007.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-(naphthalen-2-ylmethyl)-4-oxobutanoic acid
Also Known As: Naphthyl-2-methyl-succinyl-CoA, 2-(2-Naphthylmethyl)succinyl-CoA, J2.787.884I, Naphthyl-2-methyl-succinyl-CoA; (Acyl-CoA); [M+H]+;, 4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-(naphthalen-2-ylmethyl)-4-oxobutanoic acid
| Molecular Formula | C36H48N7O19P3S |
|---|---|
| Molecular Weight | 1007.19 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 25 |
| Exact Mass | 1007.19385 |
| Heavy Atoms | 66 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 830357-87-4 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(CC4=CC5=CC=CC=C5C=C4)CC(=O)O)O |
| InChIKey | BLFNYMNSRZKVBB-OUXQTKLWSA-N |
Product Overview
Naphthyl-2-methyl-succinyl-CoA (CAS 830357-87-4), with molecular formula C36H48N7O19P3S and molecular weight 1007.19 g/mol. IUPAC: 4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-(naphthalen-2-ylmethyl)-4-oxobutanoic acid.
Chemical Property Profile of Naphthyl-2-methyl-succinyl-CoA
Property Insights of Naphthyl-2-methyl-succinyl-CoA
The XLogP value of -3.0 indicates that Naphthyl-2-methyl-succinyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 426.0 Ų indicates high polarity, suggesting Naphthyl-2-methyl-succinyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naphthyl-2-methyl-succinyl-CoA has 10 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphthyl-2-methyl-succinyl-CoA?
The CAS number of Naphthyl-2-methyl-succinyl-CoA is 830357-87-4.
What is the molecular formula of Naphthyl-2-methyl-succinyl-CoA?
The molecular formula of Naphthyl-2-methyl-succinyl-CoA is C36H48N7O19P3S.
What is the molecular weight of Naphthyl-2-methyl-succinyl-CoA?
The molecular weight of Naphthyl-2-methyl-succinyl-CoA is 1007.19 g/mol.
Where can I buy Naphthyl-2-methyl-succinyl-CoA?
You can request a quote for Naphthyl-2-methyl-succinyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthyl-2-methyl-succinyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for Naphthyl-2-methyl-succinyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.