KST-1A4371
TL;DR: KST-1A4371 (CAS 37852-64-5) is a chemical compound with molecular formula C33H25Cl3NO3P and molecular weight 619.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-1-(4-chlorophenyl)-3-(4-nitrophenyl)-1-oxopropan-2-yl]-triphenylphosphanium chloride
Also Known As: KST-1A4371, N-(3-(2-Thienyl)-5-isoxazolyl)acetamide, Phosphonium, (p,alpha-dichloro-alpha-(p-nitrobenzyl)phenacyl)triphenyl-, chloride, Acetamide, N-(3-(2-thienyl)-5-isoxazolyl)-, (S)-1-Carboxymethyl-pyrrolidine-2-carboxylic acid
| Molecular Formula | C33H25Cl3NO3P |
|---|---|
| Molecular Weight | 619.06 g/mol |
| LogP | 4.6068 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 619.0638 |
| Heavy Atoms | 41 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 37852-64-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(CC4=CC=C(C=C4)[N+](=O)[O-])(C(=O)C5=CC=C(C=C5)Cl)Cl.[Cl-] |
| InChIKey | AEOAMBQWXLOCAT-UHFFFAOYSA-M |
Product Overview
KST-1A4371 (CAS 37852-64-5), with molecular formula C33H25Cl3NO3P and molecular weight 619.06 g/mol. IUPAC: [2-chloro-1-(4-chlorophenyl)-3-(4-nitrophenyl)-1-oxopropan-2-yl]-triphenylphosphanium chloride.
Chemical Property Profile of KST-1A4371
Property Insights of KST-1A4371
The XLogP value of 4.6068 indicates that KST-1A4371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A4371. Following Lipinski's Rule of Five, KST-1A4371 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A4371?
The CAS number of KST-1A4371 is 37852-64-5.
What is the molecular formula of KST-1A4371?
The molecular formula of KST-1A4371 is C33H25Cl3NO3P.
What is the molecular weight of KST-1A4371?
The molecular weight of KST-1A4371 is 619.06 g/mol.
Where can I buy KST-1A4371?
You can request a quote for KST-1A4371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4371?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.