3-(3-Oxo-1-propenyl)AZT
TL;DR: 3-(3-Oxo-1-propenyl)AZT (CAS 111495-98-8) is a chemical compound with molecular formula C13H15N5O5 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]prop-2-enal
Also Known As: 3-(3-Oxo-1-propenyl)AZT, 3-(3-Oxo-1-propenyl)-3'-azido-3'-deoxythymidine
| Molecular Formula | C13H15N5O5 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.10733 |
| Heavy Atoms | 23 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 111495-98-8 |
|---|---|
| SMILES | CC1=CN(C(=O)N(C1=O)C=CC=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] |
| InChIKey | CFFCZKKWUJQDFW-HBNTYKKESA-N |
Product Overview
3-(3-Oxo-1-propenyl)AZT (CAS 111495-98-8), with molecular formula C13H15N5O5 and molecular weight 321.11 g/mol. IUPAC: 3-[3-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]prop-2-enal.
Chemical Property Profile of 3-(3-Oxo-1-propenyl)AZT
Property Insights of 3-(3-Oxo-1-propenyl)AZT
The XLogP value of -0.2 indicates that 3-(3-Oxo-1-propenyl)AZT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Oxo-1-propenyl)AZT. Following Lipinski's Rule of Five, 3-(3-Oxo-1-propenyl)AZT has 1 hydrogen bond donor(s) and 7 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-(3-Oxo-1-propenyl)AZT?
The CAS number of 3-(3-Oxo-1-propenyl)AZT is 111495-98-8.
What is the molecular formula of 3-(3-Oxo-1-propenyl)AZT?
The molecular formula of 3-(3-Oxo-1-propenyl)AZT is C13H15N5O5.
What is the molecular weight of 3-(3-Oxo-1-propenyl)AZT?
The molecular weight of 3-(3-Oxo-1-propenyl)AZT is 321.11 g/mol.
Where can I buy 3-(3-Oxo-1-propenyl)AZT?
You can request a quote for 3-(3-Oxo-1-propenyl)AZT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Oxo-1-propenyl)AZT?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Oxo-1-propenyl)AZT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.