Pyrene-ACE-MTS
TL;DR: Pyrene-ACE-MTS (CAS 384342-64-7) is a chemical compound with molecular formula C20H17NO3S2 and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonylsulfanyl-N-pyren-1-ylpropanamide
Also Known As: Pyrene-ACE-MTS, 2-(Pyren-1-ylaminocarbonyl)ethyl Methanethiosulfonate, HY-D1508, 4-Pregnen-3,17, A,20
| Molecular Formula | C20H17NO3S2 |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 4.6054 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.06497 |
| Heavy Atoms | 26 |
| Complexity | 1216.3877 |
Chemical Identifiers
| CAS Number | 384342-64-7 |
|---|---|
| SMILES | CS(=O)(=O)SCCC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
Product Overview
Pyrene-ACE-MTS (CAS 384342-64-7), with molecular formula C20H17NO3S2 and molecular weight 383.06 g/mol. IUPAC: 3-methylsulfonylsulfanyl-N-pyren-1-ylpropanamide.
Chemical Property Profile of Pyrene-ACE-MTS
Property Insights of Pyrene-ACE-MTS
The XLogP value of 4.6054 indicates that Pyrene-ACE-MTS 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 Pyrene-ACE-MTS. Following Lipinski's Rule of Five, Pyrene-ACE-MTS 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 Pyrene-ACE-MTS?
The CAS number of Pyrene-ACE-MTS is 384342-64-7.
What is the molecular formula of Pyrene-ACE-MTS?
The molecular formula of Pyrene-ACE-MTS is C20H17NO3S2.
What is the molecular weight of Pyrene-ACE-MTS?
The molecular weight of Pyrene-ACE-MTS is 383.06 g/mol.
Where can I buy Pyrene-ACE-MTS?
You can request a quote for Pyrene-ACE-MTS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene-ACE-MTS?
Yes, KEHONG BIO provides custom synthesis services for Pyrene-ACE-MTS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.