RefChem:1068049
TL;DR: RefChem:1068049 (CAS 70403-66-6) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;methyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium
Also Known As: 5,6,7,8-Tetrahydro-N,2-dimethyl-3-indolizineethanamine (Z)-2-butenedioate, 3-Indolizineethanamine, 5,6,7,8-tetrahydro-N,2-dimethyl-, (Z)-2-butenedioate (1:1), 3-INDOLIZINEETHANAMINE, 5,6,7,8-TETRAHYDRO-N,2-DIMETHYL-, (Z)-2-BUTENEDIOATE (1:, (Z)-4-hydroxy-4-oxobut-2-enoate; methyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium, RefChem:1068049
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | -0.75438 |
| Topological Polar Surface Area | 98.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 530.5859 |
Chemical Identifiers
| CAS Number | 70403-66-6 |
|---|---|
| SMILES | CC1=C(N2CCCCC2=C1)CC[NH2+]C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1068049 (CAS 70403-66-6), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;methyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium.
Chemical Property Profile of RefChem:1068049
Property Insights of RefChem:1068049
The XLogP value of -0.75438 indicates that RefChem:1068049 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068049. Following Lipinski's Rule of Five, RefChem:1068049 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:1068049?
The CAS number of RefChem:1068049 is 70403-66-6.
What is the molecular formula of RefChem:1068049?
The molecular formula of RefChem:1068049 is C16H24N2O4.
What is the molecular weight of RefChem:1068049?
The molecular weight of RefChem:1068049 is 308.17 g/mol.
Where can I buy RefChem:1068049?
You can request a quote for RefChem:1068049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068049?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.