TimTec1_003648
TL;DR: TimTec1_003648 (CAS 91568-02-4) is a chemical compound with molecular formula C12H14N2O4S2 and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-cyano-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylate
Also Known As: TimTec1_003648, ethyl 3-amino-4-cyano-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylate, ethyl 3-amino-4-cyano-5-(2-ethoxy-2-oxoethyl)sulfanylthiophe, ethyl 2-[4-amino-3-cyano-5-(ethoxycarbonyl)-2-thienylthio]acetate, Ethyl 3-amino-4-cyano-5-(ethoxycarbonylmethylsulfanyl)thiophene-2-carboxylate
| Molecular Formula | C12H14N2O4S2 |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.0395 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 91568-02-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)N)C#N |
| InChIKey | FSAZLDIEIKQKEG-UHFFFAOYSA-N |
Product Overview
TimTec1_003648 (CAS 91568-02-4), with molecular formula C12H14N2O4S2 and molecular weight 314.04 g/mol. IUPAC: ethyl 3-amino-4-cyano-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylate.
Chemical Property Profile of TimTec1_003648
Property Insights of TimTec1_003648
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_003648. The TPSA of 156.0 Ų indicates high polarity, suggesting TimTec1_003648 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TimTec1_003648 has 1 hydrogen bond donor(s) and 8 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 TimTec1_003648?
The CAS number of TimTec1_003648 is 91568-02-4.
What is the molecular formula of TimTec1_003648?
The molecular formula of TimTec1_003648 is C12H14N2O4S2.
What is the molecular weight of TimTec1_003648?
The molecular weight of TimTec1_003648 is 314.04 g/mol.
Where can I buy TimTec1_003648?
You can request a quote for TimTec1_003648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003648?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.