IFLab1_004979
TL;DR: IFLab1_004979 (CAS 315676-80-3) is a chemical compound with molecular formula C19H28N2O4S and molecular weight 380.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-(3-morpholin-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: IFLab1_004979, ethyl 6-methyl-2-(3-morpholinopropanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, AF-399/15336056, F1174-0071, ethyl 6-methyl-2-(3-morpholin-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H28N2O4S |
|---|---|
| Molecular Weight | 380.18 g/mol |
| LogP | 2.7104 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.17697 |
| Heavy Atoms | 26 |
| Complexity | 652.2095 |
Chemical Identifiers
| CAS Number | 315676-80-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCN3CCOCC3 |
Product Overview
IFLab1_004979 (CAS 315676-80-3), with molecular formula C19H28N2O4S and molecular weight 380.18 g/mol. IUPAC: ethyl 6-methyl-2-(3-morpholin-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of IFLab1_004979
Property Insights of IFLab1_004979
The XLogP value of 2.7104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004979. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004979. Following Lipinski's Rule of Five, IFLab1_004979 has 1 hydrogen bond donor(s) and 6 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_004979?
The CAS number of IFLab1_004979 is 315676-80-3.
What is the molecular formula of IFLab1_004979?
The molecular formula of IFLab1_004979 is C19H28N2O4S.
What is the molecular weight of IFLab1_004979?
The molecular weight of IFLab1_004979 is 380.18 g/mol.
Where can I buy IFLab1_004979?
You can request a quote for IFLab1_004979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004979?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.