bis[(2-hydroxyethyl)ammonium]oxalate
TL;DR: bis[(2-hydroxyethyl)ammonium]oxalate (CAS 27124-12-5) is a chemical compound with molecular formula C25H32N2O7 and molecular weight 472.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-acetyloxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylate
Also Known As: bis[(2-hydroxyethyl)ammonium]oxalate, Methyl 18-beta-acetoxy-10,17-alpha-dimethoxy-3-oxo-2,3-seco-20-alpha-yohimbane-16-beta-carboxylate, methyl 7-(acetyloxy)-6-methoxy-2-[2-(5-methoxy-1h-indol-3-yl)ethyl]-3-oxodecahydroisoquinoline-5-carboxylate, methyl 7-acetyloxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylate, EINECS 248-239-1
| Molecular Formula | C25H32N2O7 |
|---|---|
| Molecular Weight | 472.22 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.22095 |
| Heavy Atoms | 34 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 27124-12-5 |
|---|---|
| SMILES | CC(=O)OC1CC2CN(C(=O)CC2C(C1OC)C(=O)OC)CCC3=CNC4=C3C=C(C=C4)OC |
| InChIKey | BTQSFHGEXFKNQE-UHFFFAOYSA-N |
Product Overview
bis[(2-hydroxyethyl)ammonium]oxalate (CAS 27124-12-5), with molecular formula C25H32N2O7 and molecular weight 472.22 g/mol. IUPAC: methyl 7-acetyloxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylate.
Chemical Property Profile of bis[(2-hydroxyethyl)ammonium]oxalate
Property Insights of bis[(2-hydroxyethyl)ammonium]oxalate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bis[(2-hydroxyethyl)ammonium]oxalate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for bis[(2-hydroxyethyl)ammonium]oxalate. Following Lipinski's Rule of Five, bis[(2-hydroxyethyl)ammonium]oxalate has 1 hydrogen bond donor(s) and 7 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 bis[(2-hydroxyethyl)ammonium]oxalate?
The CAS number of bis[(2-hydroxyethyl)ammonium]oxalate is 27124-12-5.
What is the molecular formula of bis[(2-hydroxyethyl)ammonium]oxalate?
The molecular formula of bis[(2-hydroxyethyl)ammonium]oxalate is C25H32N2O7.
What is the molecular weight of bis[(2-hydroxyethyl)ammonium]oxalate?
The molecular weight of bis[(2-hydroxyethyl)ammonium]oxalate is 472.22 g/mol.
Where can I buy bis[(2-hydroxyethyl)ammonium]oxalate?
You can request a quote for bis[(2-hydroxyethyl)ammonium]oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis[(2-hydroxyethyl)ammonium]oxalate?
Yes, KEHONG BIO provides custom synthesis services for bis[(2-hydroxyethyl)ammonium]oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.