KST-1B2102
TL;DR: KST-1B2102 (CAS 2428-30-0) is a chemical compound with molecular formula C22H29Cl2FN2O2 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one;dihydrochloride
Also Known As: KST-1B2102, 4'-Fluoro-3-(4-(beta-methoxyphenethyl)-1-piperazinyl)propiophenone dihydrochloride, 1-(4-fluorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one dihydrochloride, Propiophenone, 4'-fluoro-3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-, dihydrochloride, 1-(4-fluorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one,dihydrochloride
| Molecular Formula | C22H29Cl2FN2O2 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 4.2474 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.159 |
| Heavy Atoms | 29 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 2428-30-0 |
|---|---|
| SMILES | COC(CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl.Cl |
| InChIKey | XSCRLHLOLWVUMP-UHFFFAOYSA-N |
Product Overview
KST-1B2102 (CAS 2428-30-0), with molecular formula C22H29Cl2FN2O2 and molecular weight 442.16 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one;dihydrochloride.
Chemical Property Profile of KST-1B2102
Property Insights of KST-1B2102
The XLogP value of 4.2474 indicates that KST-1B2102 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-1B2102 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B2102 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-1B2102?
The CAS number of KST-1B2102 is 2428-30-0.
What is the molecular formula of KST-1B2102?
The molecular formula of KST-1B2102 is C22H29Cl2FN2O2.
What is the molecular weight of KST-1B2102?
The molecular weight of KST-1B2102 is 442.16 g/mol.
Where can I buy KST-1B2102?
You can request a quote for KST-1B2102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B2102?
Yes, KEHONG BIO provides custom synthesis services for KST-1B2102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.