Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
TL;DR: Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- (CAS 127498-58-2) is a chemical compound with molecular formula C16H19N5O8 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylate
Also Known As: 3'-(4,5-CH3OCO-triazole)dT, Cytidine,3'-azido-5-chloro-2',3'-dideoxy, Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-, 3'-(4,5-bis(Methoxycarbonyl)-1,2,3-triazol-1-yl)-3'-deoxythymidine, 1-(3 -Thymidyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl ester
| Molecular Formula | C16H19N5O8 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.12335 |
| Heavy Atoms | 29 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 127498-58-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)C(=O)OC)C(=O)OC |
| InChIKey | VYGGOIDGEQLNIE-IVZWLZJFSA-N |
Product Overview
Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- (CAS 127498-58-2), with molecular formula C16H19N5O8 and molecular weight 409.12 g/mol. IUPAC: dimethyl 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylate.
Chemical Property Profile of Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
Property Insights of Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
The XLogP value of -1.1 indicates that Thymidine, 3'-(4,5-bis(methoxycarbonyl)-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 162.0 Ų indicates high polarity, suggesting Thymidine, 3'-(4,5-bis(methoxycarbonyl)-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(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- has 2 hydrogen bond donor(s) and 10 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(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The CAS number of Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is 127498-58-2.
What is the molecular formula of Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The molecular formula of Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is C16H19N5O8.
What is the molecular weight of Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The molecular weight of Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is 409.12 g/mol.
Where can I buy Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
You can request a quote for Thymidine, 3'-(4,5-bis(methoxycarbonyl)-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(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.