Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-
TL;DR: Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- (CAS 127479-70-3) is a chemical compound with molecular formula C14H15N5O8 and molecular weight 381.09 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-dicarboxylic acid
Also Known As: 3'-(4,5-bisCarboxytriazole)dT, Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-, 3'-(4,5-Biscarboxy-1,2,3-triazol-1-yl)-3'-deoxythymidine, 3'-(4-Hydroxymethyl-1,2,3-triazol-1-yl)-3'-deoxythymidine, 3'-Deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)thymidine
| Molecular Formula | C14H15N5O8 |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.09207 |
| Heavy Atoms | 27 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 127479-70-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)C(=O)O)C(=O)O |
| InChIKey | XMVVWLLRTUNWFT-XLPZGREQSA-N |
Product Overview
Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- (CAS 127479-70-3), with molecular formula C14H15N5O8 and molecular weight 381.09 g/mol. IUPAC: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4,5-dicarboxylic acid.
Chemical Property Profile of Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-
Property Insights of Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-
The XLogP value of -1.7 indicates that Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- has 4 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'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-?
The CAS number of Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- is 127479-70-3.
What is the molecular formula of Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-?
The molecular formula of Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- is C14H15N5O8.
What is the molecular weight of Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-?
The molecular weight of Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- is 381.09 g/mol.
Where can I buy Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-?
You can request a quote for Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-deoxy-3'-(4,5-dicarboxy-1H-1,2,3-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.