Nsc 105,826
TL;DR: Nsc 105,826 (CAS 16754-86-2) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
Also Known As: NSC 105,826, 4-Methylthio-7-beta-D-ribofuranosylpyrrolo(2,3-d)pyrimidine, (2R,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol, 4-(methylsulfanyl)-7-[(3xi)-, A-d-erythro-pentofuranosyl]-7h-pyrrolo[2,3-d]pyrimidine
| Molecular Formula | C12H15N3O4S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.07834 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 16754-86-2 |
|---|---|
| SMILES | CSC1=NC=NC2=C1C=CN2[C@H]3[C@@H](C([C@H](O3)CO)O)O |
| InChIKey | ULAFTYMEZPGDOI-XHPIMKSCSA-N |
Product Overview
Nsc 105,826 (CAS 16754-86-2), with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol. IUPAC: (2R,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
Chemical Property Profile of Nsc 105,826
Property Insights of Nsc 105,826
The XLogP value of -0.2 indicates that Nsc 105,826 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nsc 105,826. Following Lipinski's Rule of Five, Nsc 105,826 has 3 hydrogen bond donor(s) and 7 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 Nsc 105,826?
The CAS number of Nsc 105,826 is 16754-86-2.
What is the molecular formula of Nsc 105,826?
The molecular formula of Nsc 105,826 is C12H15N3O4S.
What is the molecular weight of Nsc 105,826?
The molecular weight of Nsc 105,826 is 297.08 g/mol.
Where can I buy Nsc 105,826?
You can request a quote for Nsc 105,826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nsc 105,826?
Yes, KEHONG BIO provides custom synthesis services for Nsc 105,826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.