3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate
TL;DR: 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate (CAS 860649-08-7) is a chemical compound with molecular formula C20H25NO5S and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-2-(morpholin-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate
Also Known As: 3,5-dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate, 10X-0902, [3,5-dimethyl-2-(morpholin-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate, 3,5-dimethyl-2-[(morpholin-4-yl)methyl]phenyl 4-methoxybenzene-1-sulfonate, 3,5-Dimethyl-2-(4-morpholinylmethyl)phenyl 4-methoxybenzenesulfonate
| Molecular Formula | C20H25NO5S |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 2.91194 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.14536 |
| Heavy Atoms | 27 |
| Complexity | 887.33325 |
Chemical Identifiers
| CAS Number | 860649-08-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CN3CCOCC3)C |
Product Overview
3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate (CAS 860649-08-7), with molecular formula C20H25NO5S and molecular weight 391.15 g/mol. IUPAC: [3,5-dimethyl-2-(morpholin-4-ylmethyl)phenyl] 4-methoxybenzenesulfonate.
Chemical Property Profile of 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate
Property Insights of 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate
The XLogP value of 2.91194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate has 0 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 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate?
The CAS number of 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate is 860649-08-7.
What is the molecular formula of 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate?
The molecular formula of 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate is C20H25NO5S.
What is the molecular weight of 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate?
The molecular weight of 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate is 391.15 g/mol.
Where can I buy 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate?
You can request a quote for 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-2-(morpholinomethyl)phenyl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.