TimTec1_001340
TL;DR: TimTec1_001340 (CAS 329059-60-1) is a chemical compound with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(tert-butyliminomethyl)-4-chloro-3-methyl-1-benzofuran-2-carboxylate
Also Known As: TimTec1_001340, ethyl 5-[(E)-(tert-butylimino)methyl]-4-chloro-3-methyl-1-benzofuran-2-carboxylate, AH-262/33700051, BRD-K31344772-001-01-4, ethyl 5-(tert-butyliminomethyl)-4-chloro-3-methyl-1-benzofuran-2-carboxylate
| Molecular Formula | C17H20ClNO3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.11316 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 329059-60-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C=NC(C)(C)C)C |
| InChIKey | QGCUPBBYOOPETN-UHFFFAOYSA-N |
Product Overview
TimTec1_001340 (CAS 329059-60-1), with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol. IUPAC: ethyl 5-(tert-butyliminomethyl)-4-chloro-3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of TimTec1_001340
Property Insights of TimTec1_001340
The XLogP value of 4.4 indicates that TimTec1_001340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, TimTec1_001340 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_001340 has 0 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 TimTec1_001340?
The CAS number of TimTec1_001340 is 329059-60-1.
What is the molecular formula of TimTec1_001340?
The molecular formula of TimTec1_001340 is C17H20ClNO3.
What is the molecular weight of TimTec1_001340?
The molecular weight of TimTec1_001340 is 321.11 g/mol.
Where can I buy TimTec1_001340?
You can request a quote for TimTec1_001340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001340?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.