TimTec1_004791
TL;DR: TimTec1_004791 (CAS 633286-28-9) is a chemical compound with molecular formula C21H27N3O and molecular weight 337.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-diethyl-2-(2-methyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: TimTec1_004791, A3283/0139712, 5,7-diethyl-2-(2-methyl-1H-indol-3-yl)-1,3-diazaadamantan-6-one, 5,7-diethyl-2-(2-methyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, (5s,7s)-5,7-diethyl-2-(2-methyl-1H-indol-3-yl)-1,3-diazaadamantan-6-one
| Molecular Formula | C21H27N3O |
|---|---|
| Molecular Weight | 337.22 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.21542 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 633286-28-9 |
|---|---|
| SMILES | CCC12CN3CC(C1=O)(CN(C2)C3C4=C(NC5=CC=CC=C54)C)CC |
| InChIKey | DFKNZLAJHUJXFN-UHFFFAOYSA-N |
Product Overview
TimTec1_004791 (CAS 633286-28-9), with molecular formula C21H27N3O and molecular weight 337.22 g/mol. IUPAC: 5,7-diethyl-2-(2-methyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of TimTec1_004791
Property Insights of TimTec1_004791
The XLogP value of 3.0 indicates that TimTec1_004791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, TimTec1_004791 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_004791 has 1 hydrogen bond donor(s) and 3 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_004791?
The CAS number of TimTec1_004791 is 633286-28-9.
What is the molecular formula of TimTec1_004791?
The molecular formula of TimTec1_004791 is C21H27N3O.
What is the molecular weight of TimTec1_004791?
The molecular weight of TimTec1_004791 is 337.22 g/mol.
Where can I buy TimTec1_004791?
You can request a quote for TimTec1_004791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004791?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.