1-Thiocoumarin, 3-amino-4-morpholino-
TL;DR: 1-Thiocoumarin, 3-amino-4-morpholino- (CAS 66285-10-7) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-morpholin-4-ylthiochromen-2-one
Also Known As: 3-Amino-4-morpholino-1-thiocoumarin, 1-Thiocoumarin, 3-amino-4-morpholino-, 3-amino-4-morpholin-4-ylthiochromen-2-one, 3-amino-4-morpholin-4-yl-thiochromen-2-one, 3-Amino-4-(morpholin-4-yl)-2H-1-benzothiopyran-2-one
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 1.6803 |
| Topological Polar Surface Area | 55.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 632.4141 |
Chemical Identifiers
| CAS Number | 66285-10-7 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)SC3=CC=CC=C32)N |
Product Overview
1-Thiocoumarin, 3-amino-4-morpholino- (CAS 66285-10-7), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 3-amino-4-morpholin-4-ylthiochromen-2-one.
Chemical Property Profile of 1-Thiocoumarin, 3-amino-4-morpholino-
Property Insights of 1-Thiocoumarin, 3-amino-4-morpholino-
The XLogP value of 1.6803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thiocoumarin, 3-amino-4-morpholino-. With a topological polar surface area (TPSA) of 55.56 Ų, 1-Thiocoumarin, 3-amino-4-morpholino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thiocoumarin, 3-amino-4-morpholino- has 1 hydrogen bond donor(s) and 5 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-morpholino-?
The CAS number of 1-Thiocoumarin, 3-amino-4-morpholino- is 66285-10-7.
What is the molecular formula of 1-Thiocoumarin, 3-amino-4-morpholino-?
The molecular formula of 1-Thiocoumarin, 3-amino-4-morpholino- is C13H14N2O2S.
What is the molecular weight of 1-Thiocoumarin, 3-amino-4-morpholino-?
The molecular weight of 1-Thiocoumarin, 3-amino-4-morpholino- is 262.08 g/mol.
Where can I buy 1-Thiocoumarin, 3-amino-4-morpholino-?
You can request a quote for 1-Thiocoumarin, 3-amino-4-morpholino- 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-morpholino-?
Yes, KEHONG BIO provides custom synthesis services for 1-Thiocoumarin, 3-amino-4-morpholino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.