RefChem:1068050
TL;DR: RefChem:1068050 (CAS 70403-68-8) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5,6,7,8-Tetrahydro-N,N,2-trimethyl-3-indolizineethanamine (Z)-2-butenedioate, 3-Indolizineethanamine, 5,6,7,8-tetrahydro-N,N,2-trimethyl-, (Z)-2-butenedioate (1:1), 3-INDOLIZINEETHANAMINE, 5,6,7,8-TETRAHYDRO-N,N,2-TRIMETHYL-, (Z)-2-BUTENEDIOATE, dimethyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1068050
| Molecular Formula | C17H26N2O4 |
|---|---|
| Molecular Weight | 322.19 g/mol |
| LogP | -0.80308 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 557.3937 |
Chemical Identifiers
| CAS Number | 70403-68-8 |
|---|---|
| SMILES | CC1=C(N2CCCCC2=C1)CC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1068050 (CAS 70403-68-8), with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol. IUPAC: dimethyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1068050
Property Insights of RefChem:1068050
The XLogP value of -0.80308 indicates that RefChem:1068050 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068050. Following Lipinski's Rule of Five, RefChem:1068050 has 2 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 RefChem:1068050?
The CAS number of RefChem:1068050 is 70403-68-8.
What is the molecular formula of RefChem:1068050?
The molecular formula of RefChem:1068050 is C17H26N2O4.
What is the molecular weight of RefChem:1068050?
The molecular weight of RefChem:1068050 is 322.19 g/mol.
Where can I buy RefChem:1068050?
You can request a quote for RefChem:1068050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.