RefChem:217905
TL;DR: RefChem:217905 (CAS 50836-08-3) is a chemical compound with molecular formula C18H23NO9 and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate;oxalic acid
Also Known As: 1,3-Benzodioxole-2-acetic acid, 2-methyl-, 2-(4-morpholinyl)ethyl ester, ethanedioate, 2-(4-Morpholinyl)ethyl 2-methyl-1,3-benzodioxole-2-acetate ethanedioate, 2-morpholin-4-ylethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate; oxalic acid, Oxalic acid--2-(morpholin-4-yl)ethyl (2-methyl-2H-1,3-benzodioxol-2-yl)acetate (1/1), RefChem:217905
| Molecular Formula | C18H23NO9 |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 0.5951 |
| Topological Polar Surface Area | 131.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.13727 |
| Heavy Atoms | 28 |
| Complexity | 663.05164 |
Chemical Identifiers
| CAS Number | 50836-08-3 |
|---|---|
| SMILES | CC1(OC2=CC=CC=C2O1)CC(=O)OCCN3CCOCC3.C(=O)(C(=O)O)O |
Product Overview
RefChem:217905 (CAS 50836-08-3), with molecular formula C18H23NO9 and molecular weight 397.14 g/mol. IUPAC: 2-morpholin-4-ylethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate;oxalic acid.
Chemical Property Profile of RefChem:217905
Property Insights of RefChem:217905
The XLogP value of 0.5951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:217905. The TPSA of 131.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:217905. Following Lipinski's Rule of Five, RefChem:217905 has 2 hydrogen bond donor(s) and 8 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:217905?
The CAS number of RefChem:217905 is 50836-08-3.
What is the molecular formula of RefChem:217905?
The molecular formula of RefChem:217905 is C18H23NO9.
What is the molecular weight of RefChem:217905?
The molecular weight of RefChem:217905 is 397.14 g/mol.
Where can I buy RefChem:217905?
You can request a quote for RefChem:217905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217905?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.