3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine
TL;DR: 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine (CAS 124355-39-1) is a chemical compound with molecular formula C12H15N5O4 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(1,2,4-triazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 2'-(1,2,4-triazol)dT, 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine, 1-<5-O-trityl-2-(1,2,4-triazol-1-yl)-2,3-dideoxy-, A-D-erythro-pentofuranosyl>thymine, 1-[2-(1H-1,2,4-Triazol-1-yl)-2,3-dideoxy-beta-D-erythro-pentofuranosyl]thymine
| Molecular Formula | C12H15N5O4 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1124 |
| Heavy Atoms | 21 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 124355-39-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CO)N3C=NC=N3 |
| InChIKey | OBRCICQZBQRQAJ-IQJOONFLSA-N |
Product Overview
3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine (CAS 124355-39-1), with molecular formula C12H15N5O4 and molecular weight 293.11 g/mol. IUPAC: 1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(1,2,4-triazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine
Property Insights of 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine
The XLogP value of -1.1 indicates that 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine. Following Lipinski's Rule of Five, 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine has 2 hydrogen bond donor(s) and 6 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 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine?
The CAS number of 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine is 124355-39-1.
What is the molecular formula of 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine?
The molecular formula of 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine is C12H15N5O4.
What is the molecular weight of 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine?
The molecular weight of 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine is 293.11 g/mol.
Where can I buy 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine?
You can request a quote for 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxy-2'-(1,2,4-triazol-1-yl)thymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.