5'PhCO-2'Silyl-SpiroT
TL;DR: 5'PhCO-2'Silyl-SpiroT (CAS 142102-76-9) is a chemical compound with molecular formula C25H33N3O9SSi and molecular weight 579.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate
Also Known As: TSAO analog, 5'PhCO-2'Silyl-SpiroT, (1-(5'-O-Benzoyl-2'-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide), [(1R,3R,4R)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl benzoate, [(1R,3R,4R)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8
| Molecular Formula | C25H33N3O9SSi |
|---|---|
| Molecular Weight | 579.17 g/mol |
| LogP | 1.88872 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 579.17065 |
| Heavy Atoms | 39 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 142102-76-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)COC(=O)C4=CC=CC=C4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C |
| InChIKey | YWKAPGQUAVZRFC-XNPIEGOSSA-N |
Product Overview
5'PhCO-2'Silyl-SpiroT (CAS 142102-76-9), with molecular formula C25H33N3O9SSi and molecular weight 579.17 g/mol. IUPAC: [(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate.
Chemical Property Profile of 5'PhCO-2'Silyl-SpiroT
Property Insights of 5'PhCO-2'Silyl-SpiroT
The XLogP value of 1.88872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'PhCO-2'Silyl-SpiroT. The TPSA of 172.0 Ų indicates high polarity, suggesting 5'PhCO-2'Silyl-SpiroT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'PhCO-2'Silyl-SpiroT has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'PhCO-2'Silyl-SpiroT?
The CAS number of 5'PhCO-2'Silyl-SpiroT is 142102-76-9.
What is the molecular formula of 5'PhCO-2'Silyl-SpiroT?
The molecular formula of 5'PhCO-2'Silyl-SpiroT is C25H33N3O9SSi.
What is the molecular weight of 5'PhCO-2'Silyl-SpiroT?
The molecular weight of 5'PhCO-2'Silyl-SpiroT is 579.17 g/mol.
Where can I buy 5'PhCO-2'Silyl-SpiroT?
You can request a quote for 5'PhCO-2'Silyl-SpiroT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'PhCO-2'Silyl-SpiroT?
Yes, KEHONG BIO provides custom synthesis services for 5'PhCO-2'Silyl-SpiroT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.