T TSAO deriv.
TL;DR: T TSAO deriv. (CAS 141684-46-0) is a chemical compound with molecular formula C12H15N3O8S and molecular weight 361.06 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-hydroxy-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: T TSAO deriv., XyloT TSAO deriv., (1-(beta-D-Xylofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole2,2-dioxide), 3'-Spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)ribofuranosylthymine, [1-(.beta.-D-Xylofuranosyl)thymine]-3'-spiro-5-[4-amino-1,2-oxathiole2,2-dioxide]
| Molecular Formula | C12H15N3O8S |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.05798 |
| Heavy Atoms | 24 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 141684-46-0 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO)C(=CS(=O)(=O)O3)N)O |
| InChIKey | LFLRCVNDBZSHNA-MMCBPDPTSA-N |
Product Overview
T TSAO deriv. (CAS 141684-46-0), with molecular formula C12H15N3O8S and molecular weight 361.06 g/mol. IUPAC: 1-[(6R,8R,9R)-4-amino-9-hydroxy-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 T TSAO deriv.
Property Insights of T TSAO deriv.
The XLogP value of -3.5 indicates that T TSAO deriv. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting T TSAO deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, T TSAO deriv. has 4 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 T TSAO deriv.?
The CAS number of T TSAO deriv. is 141684-46-0.
What is the molecular formula of T TSAO deriv.?
The molecular formula of T TSAO deriv. is C12H15N3O8S.
What is the molecular weight of T TSAO deriv.?
The molecular weight of T TSAO deriv. is 361.06 g/mol.
Where can I buy T TSAO deriv.?
You can request a quote for T TSAO deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T TSAO deriv.?
Yes, KEHONG BIO provides custom synthesis services for T TSAO deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.