TimTec1_005867
TL;DR: TimTec1_005867 (CAS 317325-33-0) is a chemical compound with molecular formula C18H23N3O3S2 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: TimTec1_005867, BAS 02052683, A2121/0089053, ethyl 6-methyl-2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(2-((1-methyl-1H-imidazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H23N3O3S2 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 3.5139 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.11807 |
| Heavy Atoms | 26 |
| Complexity | 812.70844 |
Chemical Identifiers
| CAS Number | 317325-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC=CN3C |
Product Overview
TimTec1_005867 (CAS 317325-33-0), with molecular formula C18H23N3O3S2 and molecular weight 393.12 g/mol. IUPAC: ethyl 6-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of TimTec1_005867
Property Insights of TimTec1_005867
The XLogP value of 3.5139 indicates that TimTec1_005867 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005867. Following Lipinski's Rule of Five, TimTec1_005867 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 TimTec1_005867?
The CAS number of TimTec1_005867 is 317325-33-0.
What is the molecular formula of TimTec1_005867?
The molecular formula of TimTec1_005867 is C18H23N3O3S2.
What is the molecular weight of TimTec1_005867?
The molecular weight of TimTec1_005867 is 393.12 g/mol.
Where can I buy TimTec1_005867?
You can request a quote for TimTec1_005867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005867?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.