KST-1B4053
TL;DR: KST-1B4053 (CAS 40889-50-7) is a chemical compound with molecular formula C22H30ClNO3 and molecular weight 391.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-hydroxy-4-(1-phenylpropan-2-ylamino)butoxy]phenyl]propan-1-one;hydrochloride
Also Known As: KST-1B4053, 1-(4-(2-Hydroxy-4-((1-methyl-2-phenylethyl)amino)butoxy)phenyl)-1-propanone hydrochloride, 1-(4-{2-hydroxy-4-[(1-phenylpropan-2-yl)amino]butoxy}phenyl)propan-1-one hydrochloride(1:1), 1-Propanone, 1-(4-(2-hydroxy-4-((1-methyl-2-phenylethyl)amino)butoxy)phenyl)-, hydrochloride, 2-(diphenylphosphino)-4-(methoxycarbonyl)benzoic acid
| Molecular Formula | C22H30ClNO3 |
|---|---|
| Molecular Weight | 391.19 g/mol |
| LogP | 4.0517 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 391.1914 |
| Heavy Atoms | 27 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 40889-50-7 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OCC(CCNC(C)CC2=CC=CC=C2)O.Cl |
| InChIKey | ZXXDDXBDDKKADU-UHFFFAOYSA-N |
Product Overview
KST-1B4053 (CAS 40889-50-7), with molecular formula C22H30ClNO3 and molecular weight 391.19 g/mol. IUPAC: 1-[4-[2-hydroxy-4-(1-phenylpropan-2-ylamino)butoxy]phenyl]propan-1-one;hydrochloride.
Chemical Property Profile of KST-1B4053
Property Insights of KST-1B4053
The XLogP value of 4.0517 indicates that KST-1B4053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, KST-1B4053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B4053 has 3 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-1B4053?
The CAS number of KST-1B4053 is 40889-50-7.
What is the molecular formula of KST-1B4053?
The molecular formula of KST-1B4053 is C22H30ClNO3.
What is the molecular weight of KST-1B4053?
The molecular weight of KST-1B4053 is 391.19 g/mol.
Where can I buy KST-1B4053?
You can request a quote for KST-1B4053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B4053?
Yes, KEHONG BIO provides custom synthesis services for KST-1B4053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.