2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate
TL;DR: 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate (CAS 384342-66-9) is a chemical compound with molecular formula C23H23NO3S2 and molecular weight 425.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-ylbutanamide
Also Known As: Pyrene-7-MTS, 2-[3-(1-Pyrenyl)propylcarboxamido]ethyl methanethiosulfonate, N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-ylbutanamide, N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-yl-butanamide, 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate
| Molecular Formula | C23H23NO3S2 |
|---|---|
| Molecular Weight | 425.11 g/mol |
| LogP | 4.7157 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.11194 |
| Heavy Atoms | 29 |
| Complexity | 1265.9408 |
Chemical Identifiers
| CAS Number | 384342-66-9 |
|---|---|
| SMILES | CS(=O)(=O)SCCNC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
Product Overview
2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate (CAS 384342-66-9), with molecular formula C23H23NO3S2 and molecular weight 425.11 g/mol. IUPAC: N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-ylbutanamide.
Chemical Property Profile of 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate
Property Insights of 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate
The XLogP value of 4.7157 indicates that 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate. Following Lipinski's Rule of Five, 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate has 1 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 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate?
The CAS number of 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate is 384342-66-9.
What is the molecular formula of 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate?
The molecular formula of 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate is C23H23NO3S2.
What is the molecular weight of 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate?
The molecular weight of 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate is 425.11 g/mol.
Where can I buy 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate?
You can request a quote for 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(1-Pyrenyl)propylcarboxamido)ethyl methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.