2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin
TL;DR: 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin (CAS 20757-66-8) is a chemical compound with molecular formula C13H17N3O6S and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-4-(3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
Also Known As: 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin, [2,2-dimethyl-4-(3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate, [7,7-dimethyl-2-(3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3,6,8-trioxabicyclo[3.3.0]oct-4-yl]methyl acetate, 2-[5-O-Acetyl-2,3-O-(1-methylethylidene)pentofuranosyl]-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one
| Molecular Formula | C13H17N3O6S |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 0.28149 |
| Topological Polar Surface Area | 104.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.0838 |
| Heavy Atoms | 23 |
| Complexity | 728.9103 |
Chemical Identifiers
| CAS Number | 20757-66-8 |
|---|---|
| SMILES | CC(=O)OCC1C2C(C(O1)N3C(=O)NC(=S)C=N3)OC(O2)(C)C |
Product Overview
2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin (CAS 20757-66-8), with molecular formula C13H17N3O6S and molecular weight 343.08 g/mol. IUPAC: [2,2-dimethyl-4-(3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate.
Chemical Property Profile of 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin
Property Insights of 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin
The XLogP value of 0.28149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin. The TPSA of 104.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin. Following Lipinski's Rule of Five, 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin 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 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin?
The CAS number of 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin is 20757-66-8.
What is the molecular formula of 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin?
The molecular formula of 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin is C13H17N3O6S.
What is the molecular weight of 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin?
The molecular weight of 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin is 343.08 g/mol.
Where can I buy 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin?
You can request a quote for 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-O-Isopropyliden-5'-O-acetyl-4-thio-6-aza-uridin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.