KST-1B9166
TL;DR: KST-1B9166 (CAS 7057-46-7) is a chemical compound with molecular formula C26H23F3N2O7 and molecular weight 532.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
Also Known As: KST-1B9166, [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate, 1-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)pentofuranosyl]-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione, (2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoate, [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-methylbenzoyl)oxy-oxolan-2-yl]methyl 4-methylbenzoate
| Molecular Formula | C26H23F3N2O7 |
|---|---|
| Molecular Weight | 532.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.14575 |
| Heavy Atoms | 38 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 7057-46-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C(F)(F)F)OC(=O)C4=CC=C(C=C4)C |
| InChIKey | QFTZSUBIJAWRPF-UHFFFAOYSA-N |
Product Overview
KST-1B9166 (CAS 7057-46-7), with molecular formula C26H23F3N2O7 and molecular weight 532.15 g/mol. IUPAC: [5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate.
Chemical Property Profile of KST-1B9166
Property Insights of KST-1B9166
The XLogP value of 4.2 indicates that KST-1B9166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B9166. Following Lipinski's Rule of Five, KST-1B9166 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B9166?
The CAS number of KST-1B9166 is 7057-46-7.
What is the molecular formula of KST-1B9166?
The molecular formula of KST-1B9166 is C26H23F3N2O7.
What is the molecular weight of KST-1B9166?
The molecular weight of KST-1B9166 is 532.15 g/mol.
Where can I buy KST-1B9166?
You can request a quote for KST-1B9166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B9166?
Yes, KEHONG BIO provides custom synthesis services for KST-1B9166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.