AZT Nicotinate
TL;DR: AZT Nicotinate (CAS 116333-43-8) is a chemical compound with molecular formula C16H16N6O5 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl pyridine-3-carboxylate
Also Known As: AZT Nicotinate, 3-Nicotinyl-AZT, 5'-(3-Pyridinylcarbonyl)-3'-azido-3'-deoxythymidine, 3 -Azido-3 -deoxy-5 -O-(3-pyridinylcarbonyl)thymidine, Thymidine, 3'-azido-3'-deoxy-, 5'-(3-pyridinecarboxylate) (9CI)
| Molecular Formula | C16H16N6O5 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.11823 |
| Heavy Atoms | 27 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 116333-43-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CN=CC=C3)N=[N+]=[N-] |
| InChIKey | KMIYVSVERCALME-YNEHKIRRSA-N |
Product Overview
AZT Nicotinate (CAS 116333-43-8), with molecular formula C16H16N6O5 and molecular weight 372.12 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl pyridine-3-carboxylate.
Chemical Property Profile of AZT Nicotinate
Property Insights of AZT Nicotinate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AZT Nicotinate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AZT Nicotinate. Following Lipinski's Rule of Five, AZT Nicotinate has 1 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 AZT Nicotinate?
The CAS number of AZT Nicotinate is 116333-43-8.
What is the molecular formula of AZT Nicotinate?
The molecular formula of AZT Nicotinate is C16H16N6O5.
What is the molecular weight of AZT Nicotinate?
The molecular weight of AZT Nicotinate is 372.12 g/mol.
Where can I buy AZT Nicotinate?
You can request a quote for AZT Nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AZT Nicotinate?
Yes, KEHONG BIO provides custom synthesis services for AZT Nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.