KST-1B2541
TL;DR: KST-1B2541 (CAS 27363-59-3) is a chemical compound with molecular formula C23H19FN2O6S and molecular weight 470.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
Also Known As: KST-1B2541, NCI60_040799, 1-(3-o-benzoyl-5-s-benzoyl-2-deoxy-5-thiopentofuranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione, [2-(benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate, 1-(3-O-Benzoyl-5-S-benzoyl-2-deoxy-5-thiopentofuranosyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C23H19FN2O6S |
|---|---|
| Molecular Weight | 470.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.0948 |
| Heavy Atoms | 33 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 27363-59-3 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | AFUDIJVTABHLBY-UHFFFAOYSA-N |
Product Overview
KST-1B2541 (CAS 27363-59-3), with molecular formula C23H19FN2O6S and molecular weight 470.09 g/mol. IUPAC: [2-(benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate.
Chemical Property Profile of KST-1B2541
Property Insights of KST-1B2541
The XLogP value of 3.3 indicates that KST-1B2541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B2541. Following Lipinski's Rule of Five, KST-1B2541 has 1 hydrogen bond donor(s) and 8 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-1B2541?
The CAS number of KST-1B2541 is 27363-59-3.
What is the molecular formula of KST-1B2541?
The molecular formula of KST-1B2541 is C23H19FN2O6S.
What is the molecular weight of KST-1B2541?
The molecular weight of KST-1B2541 is 470.09 g/mol.
Where can I buy KST-1B2541?
You can request a quote for KST-1B2541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B2541?
Yes, KEHONG BIO provides custom synthesis services for KST-1B2541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.