Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
TL;DR: Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- (CAS 127479-68-9) is a chemical compound with molecular formula C14H19N5O6 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5S)-4-[4,5-bis(hydroxymethyl)triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-(4,5-bisMeOH-triazole)dT, Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-, 3'-(4,5-Bishydroxymethyl-1,2,3-triazol-1-yl)-3'-deoxythymidine, 3'-[4,5-Bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-3'-deoxythymidine, Thymidine, 3'-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-3'-deoxy-
| Molecular Formula | C14H19N5O6 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.13354 |
| Heavy Atoms | 25 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 127479-68-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)CO)CO |
| InChIKey | XBQZBYADHGWNSU-MVWJERBFSA-N |
Product Overview
Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- (CAS 127479-68-9), with molecular formula C14H19N5O6 and molecular weight 353.13 g/mol. IUPAC: 1-[(2R,4S,5S)-4-[4,5-bis(hydroxymethyl)triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
Property Insights of Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-
The XLogP value of -3.2 indicates that Thymidine, 3'-(4,5-bis(hydroxymethyl)-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 150.0 Ų indicates high polarity, suggesting Thymidine, 3'-(4,5-bis(hydroxymethyl)-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(hydroxymethyl)-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(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The CAS number of Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is 127479-68-9.
What is the molecular formula of Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The molecular formula of Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is C14H19N5O6.
What is the molecular weight of Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
The molecular weight of Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- is 353.13 g/mol.
Where can I buy Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
You can request a quote for Thymidine, 3'-(4,5-bis(hydroxymethyl)-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(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-(4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3'-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.