TimTec1_002251
TL;DR: TimTec1_002251 (CAS 474377-14-5) is a chemical compound with molecular formula C29H30O6 and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(3,4-dimethylphenyl)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: TimTec1_002251, bis[2-(3,4-dimethylphenyl)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, BRD-A58091806-001-01-1, bis(2-(3,4-dimethylphenyl)-2-oxoethyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, 2-(3,4-dimethylphenyl)-2-oxoethyl 3-{[2-(3,4-dimethylphenyl)-2-oxoethyl]oxycar bonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylate
| Molecular Formula | C29H30O6 |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 4.51058 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.20422 |
| Heavy Atoms | 35 |
| Complexity | 1130.173 |
Chemical Identifiers
| CAS Number | 474377-14-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2C3CC(C2C(=O)OCC(=O)C4=CC(=C(C=C4)C)C)C=C3)C |
Product Overview
TimTec1_002251 (CAS 474377-14-5), with molecular formula C29H30O6 and molecular weight 474.20 g/mol. IUPAC: bis[2-(3,4-dimethylphenyl)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of TimTec1_002251
Property Insights of TimTec1_002251
The XLogP value of 4.51058 indicates that TimTec1_002251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002251. Following Lipinski's Rule of Five, TimTec1_002251 has 0 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 TimTec1_002251?
The CAS number of TimTec1_002251 is 474377-14-5.
What is the molecular formula of TimTec1_002251?
The molecular formula of TimTec1_002251 is C29H30O6.
What is the molecular weight of TimTec1_002251?
The molecular weight of TimTec1_002251 is 474.20 g/mol.
Where can I buy TimTec1_002251?
You can request a quote for TimTec1_002251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002251?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.