AB00684641-01
TL;DR: AB00684641-01 (CAS 862826-26-4) is a chemical compound with molecular formula C26H31N3O4S and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[2-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide
Also Known As: AB00684641-01, F0617-0289, 4-ethoxy-N-[2-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide, 4-ethoxy-N-(2-(3-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide, 4-ethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide
| Molecular Formula | C26H31N3O4S |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 3.8573 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 481.20352 |
| Heavy Atoms | 34 |
| Complexity | 1106.9362 |
Chemical Identifiers
| CAS Number | 862826-26-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4 |
Product Overview
AB00684641-01 (CAS 862826-26-4), with molecular formula C26H31N3O4S and molecular weight 481.20 g/mol. IUPAC: 4-ethoxy-N-[2-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide.
Chemical Property Profile of AB00684641-01
Property Insights of AB00684641-01
The XLogP value of 3.8573 indicates that AB00684641-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684641-01. Following Lipinski's Rule of Five, AB00684641-01 has 2 hydrogen bond donor(s) and 5 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 AB00684641-01?
The CAS number of AB00684641-01 is 862826-26-4.
What is the molecular formula of AB00684641-01?
The molecular formula of AB00684641-01 is C26H31N3O4S.
What is the molecular weight of AB00684641-01?
The molecular weight of AB00684641-01 is 481.20 g/mol.
Where can I buy AB00684641-01?
You can request a quote for AB00684641-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684641-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684641-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.