KST-1B2097
TL;DR: KST-1B2097 (CAS 24269-86-1) is a chemical compound with molecular formula C22H29Cl3N2O2 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one;dihydrochloride
Also Known As: KST-1B2097, 4'-Chloro-3-(4-(beta-methoxyphenethyl)-1-piperazinyl)propiophenone dihydrochloride, 1-(4-chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one dihydrochloride, Propiophenone, 4'-chloro-3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-, dihydrochloride, 1-(4-Chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C22H29Cl3N2O2 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 4.7617 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.12946 |
| Heavy Atoms | 29 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 24269-86-1 |
|---|---|
| SMILES | COC(CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3.Cl.Cl |
| InChIKey | XHZUDOGNJOVGLM-UHFFFAOYSA-N |
Product Overview
KST-1B2097 (CAS 24269-86-1), with molecular formula C22H29Cl3N2O2 and molecular weight 458.13 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one;dihydrochloride.
Chemical Property Profile of KST-1B2097
Property Insights of KST-1B2097
The XLogP value of 4.7617 indicates that KST-1B2097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, KST-1B2097 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B2097 has 2 hydrogen bond donor(s) and 4 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-1B2097?
The CAS number of KST-1B2097 is 24269-86-1.
What is the molecular formula of KST-1B2097?
The molecular formula of KST-1B2097 is C22H29Cl3N2O2.
What is the molecular weight of KST-1B2097?
The molecular weight of KST-1B2097 is 458.13 g/mol.
Where can I buy KST-1B2097?
You can request a quote for KST-1B2097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B2097?
Yes, KEHONG BIO provides custom synthesis services for KST-1B2097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.