N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯
TL;DR: N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 (CAS 149674-24-8) is a chemical compound with molecular formula C10H18N3O13P3 and molecular weight 481.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Also Known As: MDCTP, N4-Methyl-dCTP, N(4)-Methyl-2'-deoxycytidine 5'-triphosphate, 2'-Deoxy-N4-methylcytidine 5'-triphosphate, N(4)-methyl-2/'-deoxycytidine 5/'-triphosphate
| Molecular Formula | C10H18N3O13P3 |
|---|---|
| Molecular Weight | 481.01 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.00525 |
| Heavy Atoms | 29 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 149674-24-8 |
|---|---|
| SMILES | CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | IKQDPOQDKMLSOK-LKEWCRSYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 (CAS 149674-24-8), with molecular formula C10H18N3O13P3 and molecular weight 481.01 g/mol. IUPAC: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯
Property Insights of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯
The XLogP value of -5.2 indicates that N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯?
The CAS number of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 is 149674-24-8.
What is the molecular formula of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯?
The molecular formula of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 is C10H18N3O13P3.
What is the molecular weight of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯?
The molecular weight of N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 is 481.01 g/mol.
Where can I buy N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯?
You can request a quote for N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for N(4)-甲基-2'-脱氧胞苷5'-三磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.