4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe
TL;DR: 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe (CAS 73257-91-7) is a chemical compound with molecular formula C22H28N2O6S and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;N-(3-morpholin-4-yl-1-oxo-1-phenylpropan-2-yl)acetamide
Also Known As: 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe, 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phenylpropan-2-yl)acetamide, 4-methylbenzenesulfonic acid; N-(3-morpholin-4-yl-1-oxo-1-phenyl-propan-2-yl)acetamide, 4-methylbenzenesulfonic acid; N-(3-morpholin-4-yl-1-oxo-1-phenylpropan-2-yl)acetamide, 4-methylbenzenesulfonic acid;N-(3-morpholin-4-yl-1-oxo-1-phenylpropan-2-yl)acetamide
| Molecular Formula | C22H28N2O6S |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | 1.94792 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.1668 |
| Heavy Atoms | 31 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 73257-91-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NC(CN1CCOCC1)C(=O)C2=CC=CC=C2 |
| InChIKey | DCQKYHLXWYICSH-UHFFFAOYSA-N |
Product Overview
4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe (CAS 73257-91-7), with molecular formula C22H28N2O6S and molecular weight 448.17 g/mol. IUPAC: 4-methylbenzenesulfonic acid;N-(3-morpholin-4-yl-1-oxo-1-phenylpropan-2-yl)acetamide.
Chemical Property Profile of 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe
Property Insights of 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe
The XLogP value of 1.94792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe. Following Lipinski's Rule of Five, 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe has 2 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 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe?
The CAS number of 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe is 73257-91-7.
What is the molecular formula of 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe?
The molecular formula of 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe is C22H28N2O6S.
What is the molecular weight of 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe?
The molecular weight of 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe is 448.17 g/mol.
Where can I buy 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe?
You can request a quote for 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe?
Yes, KEHONG BIO provides custom synthesis services for 4-methylbenzenesulfonic acid,N-(3-morpholin-4-yl-1-oxo-1-phe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.