3'-Azido-2',3'-dideoxy-5-thiocyanatouridine
TL;DR: 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine (CAS 111495-96-6) is a chemical compound with molecular formula C10H10N6O4S and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] thiocyanate
Also Known As: 3'-N3-5-SCN-ddU, 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine, 3'-Azido-2',3'-dideoxy-5-(thiocyanato)uridine, Uridine,3'-azido-2',3'-dideoxy-5-thiocyanato-, Uridine, 3'-azido-2',3'-dideoxy-5-thiocyanato-
| Molecular Formula | C10H10N6O4S |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.04843 |
| Heavy Atoms | 21 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 111495-96-6 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)SC#N)CO)N=[N+]=[N-] |
| InChIKey | MRIVVOQRLBCTOK-SHYZEUOFSA-N |
Product Overview
3'-Azido-2',3'-dideoxy-5-thiocyanatouridine (CAS 111495-96-6), with molecular formula C10H10N6O4S and molecular weight 310.05 g/mol. IUPAC: [1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] thiocyanate.
Chemical Property Profile of 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine
Property Insights of 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine. The TPSA of 142.0 Ų indicates high polarity, suggesting 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine has 2 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 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine?
The CAS number of 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine is 111495-96-6.
What is the molecular formula of 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine?
The molecular formula of 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine is C10H10N6O4S.
What is the molecular weight of 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine?
The molecular weight of 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine is 310.05 g/mol.
Where can I buy 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine?
You can request a quote for 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Azido-2',3'-dideoxy-5-thiocyanatouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.