Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate
TL;DR: Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate (CAS 98819-77-3) is a chemical compound with molecular formula C20H27NO6S and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
Also Known As: Reboxetine mesylate, Edronax, Vestra, Reboxetine, Reboxitine
| Molecular Formula | C20H27NO6S |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 2.6978 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.1559 |
| Heavy Atoms | 28 |
| Complexity | 798.45544 |
Chemical Identifiers
| CAS Number | 98819-77-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O |
Product Overview
Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate (CAS 98819-77-3), with molecular formula C20H27NO6S and molecular weight 409.16 g/mol. IUPAC: 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid.
Chemical Property Profile of Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate
Property Insights of Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate
The XLogP value of 2.6978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate. Following Lipinski's Rule of Five, Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate has 2 hydrogen bond donor(s) and 6 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 Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate?
The CAS number of Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate is 98819-77-3.
What is the molecular formula of Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate?
The molecular formula of Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate is C20H27NO6S.
What is the molecular weight of Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate?
The molecular weight of Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate is 409.16 g/mol.
Where can I buy Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate?
You can request a quote for Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.