3'-CN-D4T
TL;DR: 3'-CN-D4T (CAS 118222-08-5) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-3-carbonitrile
Also Known As: 3'-CN-D4T, 3'-C-Cyano-3'-deoxy-2',3'-didehydrothymidine, 3-Furancarbonitrile, 5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2,5-dihydro-2-(hydroxymethyl)-, (2S,5R)-, (2S,5R)-2-(Hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-3-carbonitrile, (2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-3-carbonitrile
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 118222-08-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C=C([C@H](O2)CO)C#N |
| InChIKey | CTKYKXZRHGLZHV-RKDXNWHRSA-N |
Product Overview
3'-CN-D4T (CAS 118222-08-5), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: (2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-3-carbonitrile.
Chemical Property Profile of 3'-CN-D4T
Property Insights of 3'-CN-D4T
The XLogP value of -1.4 indicates that 3'-CN-D4T is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-CN-D4T. Following Lipinski's Rule of Five, 3'-CN-D4T has 2 hydrogen bond donor(s) and 5 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'-CN-D4T?
The CAS number of 3'-CN-D4T is 118222-08-5.
What is the molecular formula of 3'-CN-D4T?
The molecular formula of 3'-CN-D4T is C11H11N3O4.
What is the molecular weight of 3'-CN-D4T?
The molecular weight of 3'-CN-D4T is 249.07 g/mol.
Where can I buy 3'-CN-D4T?
You can request a quote for 3'-CN-D4T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-CN-D4T?
Yes, KEHONG BIO provides custom synthesis services for 3'-CN-D4T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.