Spi 501
TL;DR: Spi 501 (CAS 173440-64-7) is a chemical compound with molecular formula C24H36ClN5O5S and molecular weight 541.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-3-yl]propyl]guanidine;hydrochloride
Also Known As: Spi 501, 1-Butyl-3-(6,7-dimethoxy-2-naphthylsulfonyl)amino-3-(3-guanidinopropyl)-2-pyrrolidinone hydrochloride, 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-3-yl]propyl]guanidine hydrochloride, 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-3-yl]propyl]guanidine,hydrochloride, 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-3-yl]propyl]guanidine;hydrochloride
| Molecular Formula | C24H36ClN5O5S |
|---|---|
| Molecular Weight | 541.21 g/mol |
| LogP | 2.3819 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 541.2126 |
| Heavy Atoms | 36 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 173440-64-7 |
|---|---|
| SMILES | CCCCN1CCC(C1=O)(CCCN=C(N)N)NS(=O)(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC.Cl |
| InChIKey | BQEBDKGJYGKUMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spi 501 (CAS 173440-64-7), with molecular formula C24H36ClN5O5S and molecular weight 541.21 g/mol. IUPAC: 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-3-yl]propyl]guanidine;hydrochloride.
Chemical Property Profile of Spi 501
Property Insights of Spi 501
The XLogP value of 2.3819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spi 501. The TPSA of 158.0 Ų indicates high polarity, suggesting Spi 501 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spi 501 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spi 501?
The CAS number of Spi 501 is 173440-64-7.
What is the molecular formula of Spi 501?
The molecular formula of Spi 501 is C24H36ClN5O5S.
What is the molecular weight of Spi 501?
The molecular weight of Spi 501 is 541.21 g/mol.
Where can I buy Spi 501?
You can request a quote for Spi 501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spi 501?
Yes, KEHONG BIO provides custom synthesis services for Spi 501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.