TimTec1_003961
TL;DR: TimTec1_003961 (CAS 347368-79-0) is a chemical compound with molecular formula C28H36N2O4 and molecular weight 464.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methylindole-3-carboxylate
Also Known As: TimTec1_003961, AP-124/40683321, 5-(3-Azepan-1-yl-2-hydroxy-propoxy)-1-benzyl-2-methyl-1H-indole-3-carboxylic acid ethyl ester, ethyl 5-(3-(azepan-1-yl)-2-hydroxypropoxy)-1-benzyl-2-methyl-1H-indole-3-carboxylate, ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methyl-1H-indole-3-carboxylate
| Molecular Formula | C28H36N2O4 |
|---|---|
| Molecular Weight | 464.27 g/mol |
| LogP | 4.79042 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.26752 |
| Heavy Atoms | 34 |
| Complexity | 1084.7292 |
Chemical Identifiers
| CAS Number | 347368-79-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCCC3)O)CC4=CC=CC=C4)C |
Product Overview
TimTec1_003961 (CAS 347368-79-0), with molecular formula C28H36N2O4 and molecular weight 464.27 g/mol. IUPAC: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methylindole-3-carboxylate.
Chemical Property Profile of TimTec1_003961
Property Insights of TimTec1_003961
The XLogP value of 4.79042 indicates that TimTec1_003961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003961. Following Lipinski's Rule of Five, TimTec1_003961 has 1 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 TimTec1_003961?
The CAS number of TimTec1_003961 is 347368-79-0.
What is the molecular formula of TimTec1_003961?
The molecular formula of TimTec1_003961 is C28H36N2O4.
What is the molecular weight of TimTec1_003961?
The molecular weight of TimTec1_003961 is 464.27 g/mol.
Where can I buy TimTec1_003961?
You can request a quote for TimTec1_003961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003961?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.