5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione
TL;DR: 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione (CAS 689251-29-4) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-aminophenyl)methyl]-3-methyl-1,3-thiazolidine-2,4-dione
Also Known As: Bionet2_001133, 5-(4-aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione, 5-[(4-aminophenyl)methyl]-3-methyl-1,3-thiazolidine-2,4-dione, 11T-0841, A1-22787
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.5051 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 430.11563 |
Chemical Identifiers
| CAS Number | 689251-29-4 |
|---|---|
| SMILES | CN1C(=O)C(SC1=O)CC2=CC=C(C=C2)N |
Product Overview
5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione (CAS 689251-29-4), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 5-[(4-aminophenyl)methyl]-3-methyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione
Property Insights of 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione
The XLogP value of 1.5051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione. Following Lipinski's Rule of Five, 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione 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 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione?
The CAS number of 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione is 689251-29-4.
What is the molecular formula of 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione?
The molecular formula of 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione is C11H12N2O2S.
What is the molecular weight of 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione?
The molecular weight of 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione is 236.06 g/mol.
Where can I buy 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione?
You can request a quote for 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Aminobenzyl)-3-methyl-1,3-thiazolane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.