TimTec1_000847
TL;DR: TimTec1_000847 (CAS 5733-36-8) is a chemical compound with molecular formula C25H30N4O5 and molecular weight 466.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-morpholin-4-yl-4-phenyl-7-propylpyrrolo[2,1-f][1,2,4]triazine-5,6-dicarboxylate
Also Known As: TimTec1_000847, diethyl 2-morpholin-4-yl-4-phenyl-7-propylpyrrolo[2,1-f][1,2,4]triazine-5,6-dicarboxylate, BRD-K27623400-001-01-7, diethyl 2-(4-morpholinyl)-4-phenyl-7-propylpyrrolo[2,1-f][1,2,4]triazine-5,6-dicarboxylate, diethyl 2-morpholino-4-phenyl-7-propylpyrrolo[1,2-f][1,2,4]triazine-5,6-dicarboxylate
| Molecular Formula | C25H30N4O5 |
|---|---|
| Molecular Weight | 466.22 g/mol |
| LogP | 3.5388 |
| Topological Polar Surface Area | 95.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.22162 |
| Heavy Atoms | 34 |
| Complexity | 1169.2579 |
Chemical Identifiers
| CAS Number | 5733-36-8 |
|---|---|
| SMILES | CCCC1=C(C(=C2N1N=C(N=C2C3=CC=CC=C3)N4CCOCC4)C(=O)OCC)C(=O)OCC |
Product Overview
TimTec1_000847 (CAS 5733-36-8), with molecular formula C25H30N4O5 and molecular weight 466.22 g/mol. IUPAC: diethyl 2-morpholin-4-yl-4-phenyl-7-propylpyrrolo[2,1-f][1,2,4]triazine-5,6-dicarboxylate.
Chemical Property Profile of TimTec1_000847
Property Insights of TimTec1_000847
The XLogP value of 3.5388 indicates that TimTec1_000847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.26 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000847. Following Lipinski's Rule of Five, TimTec1_000847 has 0 hydrogen bond donor(s) and 8 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_000847?
The CAS number of TimTec1_000847 is 5733-36-8.
What is the molecular formula of TimTec1_000847?
The molecular formula of TimTec1_000847 is C25H30N4O5.
What is the molecular weight of TimTec1_000847?
The molecular weight of TimTec1_000847 is 466.22 g/mol.
Where can I buy TimTec1_000847?
You can request a quote for TimTec1_000847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000847?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.