7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate
TL;DR: 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate (CAS 60796-45-4) is a chemical compound with molecular formula C46H68N2O8 and molecular weight 776.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-[2-(2,2-dimethyl-5-pentylchromen-7-yl)oxyethyl]pyrrolidine);oxalic acid
Also Known As: 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate, Pyrrolidine, 1-(2-((2,2-dimethyl-5-pentyl-2H-1-benzopyran-7-yl)oxy)ethyl)-, ethanedioate (2:1), C22-H33-N-O2.1/2C2-H2-O4, 1-(2-((2,2-Dimethyl-5-pentyl-2H-1-benzopyran-7-yl)oxy)ethyl)pyrrolidine ethanedioate (2:1), 1-[2-(2,2-dimethyl-5-pentylchromen-7-yl)oxyethyl]pyrrolidine; oxalic acid
| Molecular Formula | C46H68N2O8 |
|---|---|
| Molecular Weight | 776.50 g/mol |
| LogP | 9.3118 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 776.49756 |
| Heavy Atoms | 56 |
| Complexity | 1499.6758 |
Chemical Identifiers
| CAS Number | 60796-45-4 |
|---|---|
| SMILES | CCCCCC1=C2C=CC(OC2=CC(=C1)OCCN3CCCC3)(C)C.CCCCCC1=C2C=CC(OC2=CC(=C1)OCCN3CCCC3)(C)C.C(=O)(C(=O)O)O |
Product Overview
7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate (CAS 60796-45-4), with molecular formula C46H68N2O8 and molecular weight 776.50 g/mol. IUPAC: bis(1-[2-(2,2-dimethyl-5-pentylchromen-7-yl)oxyethyl]pyrrolidine);oxalic acid.
Chemical Property Profile of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate
Property Insights of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate
The XLogP value of 9.3118 indicates that 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate. Following Lipinski's Rule of Five, 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate?
The CAS number of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate is 60796-45-4.
What is the molecular formula of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate?
The molecular formula of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate is C46H68N2O8.
What is the molecular weight of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate?
The molecular weight of 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate is 776.50 g/mol.
Where can I buy 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate?
You can request a quote for 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Pyrrolidinoethoxy)-2,2-dimethyl-5-n-pentylchromene oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.