KST-1A4221
TL;DR: KST-1A4221 (CAS 36151-44-7) is a chemical compound with molecular formula C28H30ClNO2 and molecular weight 447.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
Also Known As: KST-1A4221, erythro-3-(p-Chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)butyrophenone, Butyrophenone, 3-(p-chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, erythro-, (2r,3s)-3-(4-chlorophenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one, (2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
| Molecular Formula | C28H30ClNO2 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.1965 |
| Heavy Atoms | 32 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 36151-44-7 |
|---|---|
| SMILES | C[C@H](C1=CC=C(C=C1)Cl)[C@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OCCN4CCCC4 |
| InChIKey | RBRMEVZJJCDZNM-JIPXPUAJSA-N |
Product Overview
KST-1A4221 (CAS 36151-44-7), with molecular formula C28H30ClNO2 and molecular weight 447.20 g/mol. IUPAC: (2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one.
Chemical Property Profile of KST-1A4221
Property Insights of KST-1A4221
The XLogP value of 6.6 indicates that KST-1A4221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, KST-1A4221 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A4221 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A4221?
The CAS number of KST-1A4221 is 36151-44-7.
What is the molecular formula of KST-1A4221?
The molecular formula of KST-1A4221 is C28H30ClNO2.
What is the molecular weight of KST-1A4221?
The molecular weight of KST-1A4221 is 447.20 g/mol.
Where can I buy KST-1A4221?
You can request a quote for KST-1A4221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4221?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.