KST-1B3891
TL;DR: KST-1B3891 (CAS 39489-93-5) is a chemical compound with molecular formula C17H17N5O6Se and molecular weight 467.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-[7-[(4-nitrophenyl)methylselanyl]-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol
Also Known As: KST-1B3891, 1,4-anhydro-1-{7-[(4-nitrobenzyl)selanyl]-2h-pyrazolo[4,3-d]pyrimidin-3-yl}pentitol, 1,4-Anhydro-1-(7-{[(4-nitrophenyl)methyl]selanyl}-2H-pyrazolo[4,3-d]pyrimidin-3-yl)pentitol, 2-(hydroxymethyl)-5-[7-[(4-nitrophenyl)methylselanyl]-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol
| Molecular Formula | C17H17N5O6Se |
|---|---|
| Molecular Weight | 467.03 g/mol |
| LogP | -1.0552 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.03442 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 39489-93-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C[Se]C2=NC=NC3=C(NN=C32)C4C(C(C(O4)CO)O)O)[N+](=O)[O-] |
| InChIKey | ZOULKAFRXVCKDP-UHFFFAOYSA-N |
Product Overview
KST-1B3891 (CAS 39489-93-5), with molecular formula C17H17N5O6Se and molecular weight 467.03 g/mol. IUPAC: 2-(hydroxymethyl)-5-[7-[(4-nitrophenyl)methylselanyl]-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol.
Chemical Property Profile of KST-1B3891
Property Insights of KST-1B3891
The XLogP value of -1.0552 indicates that KST-1B3891 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting KST-1B3891 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B3891 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 KST-1B3891?
The CAS number of KST-1B3891 is 39489-93-5.
What is the molecular formula of KST-1B3891?
The molecular formula of KST-1B3891 is C17H17N5O6Se.
What is the molecular weight of KST-1B3891?
The molecular weight of KST-1B3891 is 467.03 g/mol.
Where can I buy KST-1B3891?
You can request a quote for KST-1B3891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3891?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.