2'Ac-5'PhCO-SpiroT
TL;DR: 2'Ac-5'PhCO-SpiroT (CAS 142102-74-7) is a chemical compound with molecular formula C21H21N3O10S and molecular weight 507.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R,8R,9R)-9-acetyloxy-4-amino-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, 2'Ac-5'PhCO-SpiroT, 2'-O-Acetyl-5'-O-benzoyl-beta-D-ribofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide), [(1R,3R,4R)-4-acetoxy-6-amino-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)-4-acetyloxy-6-amino-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8
| Molecular Formula | C21H21N3O10S |
|---|---|
| Molecular Weight | 507.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.09476 |
| Heavy Atoms | 35 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 142102-74-7 |
|---|---|
| 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)OC(=O)C |
| InChIKey | UXCYJHAMTCUJIT-VVTKKKPISA-N |
Product Overview
2'Ac-5'PhCO-SpiroT (CAS 142102-74-7), with molecular formula C21H21N3O10S and molecular weight 507.09 g/mol. IUPAC: [(6R,8R,9R)-9-acetyloxy-4-amino-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 2'Ac-5'PhCO-SpiroT
Property Insights of 2'Ac-5'PhCO-SpiroT
The XLogP value of -0.7 indicates that 2'Ac-5'PhCO-SpiroT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting 2'Ac-5'PhCO-SpiroT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'Ac-5'PhCO-SpiroT has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'Ac-5'PhCO-SpiroT?
The CAS number of 2'Ac-5'PhCO-SpiroT is 142102-74-7.
What is the molecular formula of 2'Ac-5'PhCO-SpiroT?
The molecular formula of 2'Ac-5'PhCO-SpiroT is C21H21N3O10S.
What is the molecular weight of 2'Ac-5'PhCO-SpiroT?
The molecular weight of 2'Ac-5'PhCO-SpiroT is 507.09 g/mol.
Where can I buy 2'Ac-5'PhCO-SpiroT?
You can request a quote for 2'Ac-5'PhCO-SpiroT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'Ac-5'PhCO-SpiroT?
Yes, KEHONG BIO provides custom synthesis services for 2'Ac-5'PhCO-SpiroT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.