1-Morpholin-4-yl-2-pyren-1-ylethanethione
TL;DR: 1-Morpholin-4-yl-2-pyren-1-ylethanethione (CAS 86803-12-5) is a chemical compound with molecular formula C22H19NOS and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-pyren-1-ylethanethione
Also Known As: 1-morpholin-4-yl-2-pyren-1-ylethanethione, 1-morpholin-4-yl-2-pyren-1-yl-ethanethione, 1-(MORPHOLIN-4-YL)-2-(PYREN-1-YL)ETHANE-1-THIONE, RefChem:232119
| Molecular Formula | C22H19NOS |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.11874 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 86803-12-5 |
|---|---|
| SMILES | C1COCCN1C(=S)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2 |
| InChIKey | SWDYHRFPDBDOGG-UHFFFAOYSA-N |
Product Overview
1-Morpholin-4-yl-2-pyren-1-ylethanethione (CAS 86803-12-5), with molecular formula C22H19NOS and molecular weight 345.12 g/mol. IUPAC: 1-morpholin-4-yl-2-pyren-1-ylethanethione.
Chemical Property Profile of 1-Morpholin-4-yl-2-pyren-1-ylethanethione
Property Insights of 1-Morpholin-4-yl-2-pyren-1-ylethanethione
The XLogP value of 4.7 indicates that 1-Morpholin-4-yl-2-pyren-1-ylethanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, 1-Morpholin-4-yl-2-pyren-1-ylethanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Morpholin-4-yl-2-pyren-1-ylethanethione has 0 hydrogen bond donor(s) and 2 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 1-Morpholin-4-yl-2-pyren-1-ylethanethione?
The CAS number of 1-Morpholin-4-yl-2-pyren-1-ylethanethione is 86803-12-5.
What is the molecular formula of 1-Morpholin-4-yl-2-pyren-1-ylethanethione?
The molecular formula of 1-Morpholin-4-yl-2-pyren-1-ylethanethione is C22H19NOS.
What is the molecular weight of 1-Morpholin-4-yl-2-pyren-1-ylethanethione?
The molecular weight of 1-Morpholin-4-yl-2-pyren-1-ylethanethione is 345.12 g/mol.
Where can I buy 1-Morpholin-4-yl-2-pyren-1-ylethanethione?
You can request a quote for 1-Morpholin-4-yl-2-pyren-1-ylethanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Morpholin-4-yl-2-pyren-1-ylethanethione?
Yes, KEHONG BIO provides custom synthesis services for 1-Morpholin-4-yl-2-pyren-1-ylethanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.