ChemDiv2_002064
TL;DR: ChemDiv2_002064 (CAS 690640-41-6) is a chemical compound with molecular formula C27H33N3O3S and molecular weight 479.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]thiophen-2-yl]benzamide
Also Known As: ChemDiv2_002064, F1654-0100, N-(5-ethyl-3-{[4-(2-hydroxyethyl)piperazin-1-yl](3-methoxyphenyl)methyl}thiophen-2-yl)benzamide, N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]thiophen-2-yl]benzamide, N-(5-ethyl-3-((4-(2-hydroxyethyl)piperazin-1-yl)(3-methoxyphenyl)methyl)thiophen-2-yl)benzamide
| Molecular Formula | C27H33N3O3S |
|---|---|
| Molecular Weight | 479.22 g/mol |
| LogP | 4.2707 |
| Topological Polar Surface Area | 65.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.22427 |
| Heavy Atoms | 34 |
| Complexity | 1077.7341 |
Chemical Identifiers
| CAS Number | 690640-41-6 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC(=CC=C3)OC)N4CCN(CC4)CCO |
Product Overview
ChemDiv2_002064 (CAS 690640-41-6), with molecular formula C27H33N3O3S and molecular weight 479.22 g/mol. IUPAC: N-[5-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]thiophen-2-yl]benzamide.
Chemical Property Profile of ChemDiv2_002064
Property Insights of ChemDiv2_002064
The XLogP value of 4.2707 indicates that ChemDiv2_002064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002064. Following Lipinski's Rule of Five, ChemDiv2_002064 has 2 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 ChemDiv2_002064?
The CAS number of ChemDiv2_002064 is 690640-41-6.
What is the molecular formula of ChemDiv2_002064?
The molecular formula of ChemDiv2_002064 is C27H33N3O3S.
What is the molecular weight of ChemDiv2_002064?
The molecular weight of ChemDiv2_002064 is 479.22 g/mol.
Where can I buy ChemDiv2_002064?
You can request a quote for ChemDiv2_002064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002064?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.