1-Thiocoumarin, 3-amino-4-pyrrolidino-
TL;DR: 1-Thiocoumarin, 3-amino-4-pyrrolidino- (CAS 69405-51-2) is a chemical compound with molecular formula C13H14N2OS and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-pyrrolidin-1-ylthiochromen-2-one
Also Known As: 1-Thiocoumarin, 3-amino-4-pyrrolidino-, 3-Amino-4-pyrrolidino-1-thiocoumarin, 3-amino-4-pyrrolidin-1-ylthiochromen-2-one, 5-20-01-00491 (Beilstein Handbook Reference), 3-AMINO-4-PYRROLIDIN-1-YL-1-THIOCOUMARIN
| Molecular Formula | C13H14N2OS |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.4439 |
| Topological Polar Surface Area | 46.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.08269 |
| Heavy Atoms | 17 |
| Complexity | 614.3358 |
Chemical Identifiers
| CAS Number | 69405-51-2 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C(=O)SC3=CC=CC=C32)N |
Product Overview
1-Thiocoumarin, 3-amino-4-pyrrolidino- (CAS 69405-51-2), with molecular formula C13H14N2OS and molecular weight 246.08 g/mol. IUPAC: 3-amino-4-pyrrolidin-1-ylthiochromen-2-one.
Chemical Property Profile of 1-Thiocoumarin, 3-amino-4-pyrrolidino-
Property Insights of 1-Thiocoumarin, 3-amino-4-pyrrolidino-
The XLogP value of 2.4439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thiocoumarin, 3-amino-4-pyrrolidino-. With a topological polar surface area (TPSA) of 46.33 Ų, 1-Thiocoumarin, 3-amino-4-pyrrolidino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thiocoumarin, 3-amino-4-pyrrolidino- 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 1-Thiocoumarin, 3-amino-4-pyrrolidino-?
The CAS number of 1-Thiocoumarin, 3-amino-4-pyrrolidino- is 69405-51-2.
What is the molecular formula of 1-Thiocoumarin, 3-amino-4-pyrrolidino-?
The molecular formula of 1-Thiocoumarin, 3-amino-4-pyrrolidino- is C13H14N2OS.
What is the molecular weight of 1-Thiocoumarin, 3-amino-4-pyrrolidino-?
The molecular weight of 1-Thiocoumarin, 3-amino-4-pyrrolidino- is 246.08 g/mol.
Where can I buy 1-Thiocoumarin, 3-amino-4-pyrrolidino-?
You can request a quote for 1-Thiocoumarin, 3-amino-4-pyrrolidino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thiocoumarin, 3-amino-4-pyrrolidino-?
Yes, KEHONG BIO provides custom synthesis services for 1-Thiocoumarin, 3-amino-4-pyrrolidino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.