IFLab1_003928
TL;DR: IFLab1_003928 (CAS 402945-30-6) is a chemical compound with molecular formula C14H15NO3S2 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: IFLab1_003928, ethyl 3-(4-methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, ETHYL 3-(4-METHOXYPHENYL)-4-METHYL-2-SULFANYLIDENE-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,3-thiazoline-5-carboxylate
| Molecular Formula | C14H15NO3S2 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.04935 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 402945-30-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)OC)C |
| InChIKey | RUJUULTZARKLRB-UHFFFAOYSA-N |
Product Overview
IFLab1_003928 (CAS 402945-30-6), with molecular formula C14H15NO3S2 and molecular weight 309.05 g/mol. IUPAC: ethyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of IFLab1_003928
Property Insights of IFLab1_003928
The XLogP value of 3.4 indicates that IFLab1_003928 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003928. Following Lipinski's Rule of Five, IFLab1_003928 has 0 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 IFLab1_003928?
The CAS number of IFLab1_003928 is 402945-30-6.
What is the molecular formula of IFLab1_003928?
The molecular formula of IFLab1_003928 is C14H15NO3S2.
What is the molecular weight of IFLab1_003928?
The molecular weight of IFLab1_003928 is 309.05 g/mol.
Where can I buy IFLab1_003928?
You can request a quote for IFLab1_003928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003928?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.