2'SilylSpiroT
TL;DR: 2'SilylSpiroT (CAS 141684-47-1) is a chemical compound with molecular formula C18H29N3O8SSi and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 2'SilylSpiroT, TSAO analog, (1-(2'-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide), (6R,8R,9R)-4-Amino-9-{[tert-butyldi(methyl)silyl]oxy}-6-(hydroxymethyl)-8-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dione, [1-[2'-O-(tert-butyldimethylsilyl)-.beta.-D-ribofuranosyl]thymine]-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)
| Molecular Formula | C18H29N3O8SSi |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 0.02402 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.14447 |
| Heavy Atoms | 31 |
| Complexity | 965.0 |
Chemical Identifiers
| CAS Number | 141684-47-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C |
| InChIKey | XWVSNYDALXUJLD-JMCPPOTBSA-N |
Product Overview
2'SilylSpiroT (CAS 141684-47-1), with molecular formula C18H29N3O8SSi and molecular weight 475.14 g/mol. IUPAC: 1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 2'SilylSpiroT
Property Insights of 2'SilylSpiroT
The XLogP value of 0.02402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'SilylSpiroT. The TPSA of 166.0 Ų indicates high polarity, suggesting 2'SilylSpiroT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'SilylSpiroT has 3 hydrogen bond donor(s) and 9 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'SilylSpiroT?
The CAS number of 2'SilylSpiroT is 141684-47-1.
What is the molecular formula of 2'SilylSpiroT?
The molecular formula of 2'SilylSpiroT is C18H29N3O8SSi.
What is the molecular weight of 2'SilylSpiroT?
The molecular weight of 2'SilylSpiroT is 475.14 g/mol.
Where can I buy 2'SilylSpiroT?
You can request a quote for 2'SilylSpiroT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'SilylSpiroT?
Yes, KEHONG BIO provides custom synthesis services for 2'SilylSpiroT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.