TimTec1_007740
TL;DR: TimTec1_007740 (CAS 588693-33-8) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: TimTec1_007740, IDI1_033394, BAS 03076924, 3,4-dimethyl-6-{[4-benzylpiperazinyl]carbonyl}cyclohex-3-enecarboxylic acid, 6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-enecarboxylic acid
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 2.778 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 690.4675 |
Chemical Identifiers
| CAS Number | 588693-33-8 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O)C |
Product Overview
TimTec1_007740 (CAS 588693-33-8), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of TimTec1_007740
Property Insights of TimTec1_007740
The XLogP value of 2.778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_007740. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_007740. Following Lipinski's Rule of Five, TimTec1_007740 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_007740?
The CAS number of TimTec1_007740 is 588693-33-8.
What is the molecular formula of TimTec1_007740?
The molecular formula of TimTec1_007740 is C21H28N2O3.
What is the molecular weight of TimTec1_007740?
The molecular weight of TimTec1_007740 is 356.21 g/mol.
Where can I buy TimTec1_007740?
You can request a quote for TimTec1_007740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_007740?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_007740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.