KST-1A1945
TL;DR: KST-1A1945 (CAS 16869-87-7) is a chemical compound with molecular formula C22H25N3O8S2 and molecular weight 523.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
Also Known As: KST-1A1945, [(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)imino]diethane-2,1-diyl bis(4-methylbenzenesulfonate), 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyl, 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate, 4-methylbenzenesulfonic acid 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl ester
| Molecular Formula | C22H25N3O8S2 |
|---|---|
| Molecular Weight | 523.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 523.10834 |
| Heavy Atoms | 35 |
| Complexity | 927.0 |
Chemical Identifiers
| CAS Number | 16869-87-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CNC(=O)NC3=O |
| InChIKey | YTPPSNBSRMDZBU-UHFFFAOYSA-N |
Product Overview
KST-1A1945 (CAS 16869-87-7), with molecular formula C22H25N3O8S2 and molecular weight 523.11 g/mol. IUPAC: 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of KST-1A1945
Property Insights of KST-1A1945
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A1945. The TPSA of 165.0 Ų indicates high polarity, suggesting KST-1A1945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A1945 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A1945?
The CAS number of KST-1A1945 is 16869-87-7.
What is the molecular formula of KST-1A1945?
The molecular formula of KST-1A1945 is C22H25N3O8S2.
What is the molecular weight of KST-1A1945?
The molecular weight of KST-1A1945 is 523.11 g/mol.
Where can I buy KST-1A1945?
You can request a quote for KST-1A1945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A1945?
Yes, KEHONG BIO provides custom synthesis services for KST-1A1945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.