KST-1B8169
TL;DR: KST-1B8169 (CAS 73309-50-9) is a chemical compound with molecular formula C9H10Cl6N2O5 and molecular weight 435.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(1-acetyloxy-2,2,2-trichloroethyl)carbamoylamino]-2,2,2-trichloroethyl] acetate
Also Known As: KST-1B8169, 5-chloromethyl-3-cyclohexyl-isoxazole, Urea,N,N'-bis[1-(acetyloxy)-2,2,2-trichloroethyl]-, 1-({[1-(acetyloxy)-2,2,2-trichloroethyl]carbamoyl}amino)-2,2,2-trichloroethyl acetate, N,N'-Bis[1-(acetyloxy)-2,2,2-trichloroethyl]carbamimidic acid
| Molecular Formula | C9H10Cl6N2O5 |
|---|---|
| Molecular Weight | 435.87 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.8721 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 73309-50-9 |
|---|---|
| SMILES | CC(=O)OC(C(Cl)(Cl)Cl)NC(=O)NC(C(Cl)(Cl)Cl)OC(=O)C |
| InChIKey | QNIZOVDYAFMFEF-UHFFFAOYSA-N |
Product Overview
KST-1B8169 (CAS 73309-50-9), with molecular formula C9H10Cl6N2O5 and molecular weight 435.87 g/mol. IUPAC: [1-[(1-acetyloxy-2,2,2-trichloroethyl)carbamoylamino]-2,2,2-trichloroethyl] acetate.
Chemical Property Profile of KST-1B8169
Property Insights of KST-1B8169
The XLogP value of 3.2 indicates that KST-1B8169 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B8169. Following Lipinski's Rule of Five, KST-1B8169 has 2 hydrogen bond donor(s) and 5 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-1B8169?
The CAS number of KST-1B8169 is 73309-50-9.
What is the molecular formula of KST-1B8169?
The molecular formula of KST-1B8169 is C9H10Cl6N2O5.
What is the molecular weight of KST-1B8169?
The molecular weight of KST-1B8169 is 435.87 g/mol.
Where can I buy KST-1B8169?
You can request a quote for KST-1B8169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B8169?
Yes, KEHONG BIO provides custom synthesis services for KST-1B8169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.