Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
TL;DR: Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- (CAS 127479-74-7) is a chemical compound with molecular formula C14H17N7O6 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxamide
Also Known As: 3'-(4,5-bisCONH2-triazole)dT, Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-, 3'-(4,5-Bis(carbamoyl)-1,2,3-triazol-1-yl)-3'-deoxythymidine, 3'-[4,5-Bis(carbamoyl)-1,2,3-triazol-1-yl]-3'-deoxythymidine, 3'-Deoxy-3'-(4,5-dicarbamoyl-1H-1,2,3-triazol-1-yl)thymidine
| Molecular Formula | C14H17N7O6 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.12402 |
| Heavy Atoms | 27 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 127479-74-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)C(=O)N)C(=O)N |
| InChIKey | RFRNMFYWODAPQV-XLPZGREQSA-N |
Product Overview
Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- (CAS 127479-74-7), with molecular formula C14H17N7O6 and molecular weight 379.12 g/mol. IUPAC: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxamide.
Chemical Property Profile of Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
Property Insights of Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
The XLogP value of -3.0 indicates that Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- has 4 hydrogen bond donor(s) and 8 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 Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The CAS number of Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is 127479-74-7.
What is the molecular formula of Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The molecular formula of Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is C14H17N7O6.
What is the molecular weight of Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The molecular weight of Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is 379.12 g/mol.
Where can I buy Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
You can request a quote for Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-(4,5-bis(aminocarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.