Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester
TL;DR: Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester (CAS 213325-29-2) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
Also Known As: methyl 4-morpholinosulphonylphenylacetate, Methyl 2-(4-morpholinosulfonylphenyl)acetate, Methyl 4-(4-morpholinylsulfonyl)benzeneacetate, Methyl [4-(4-morpholinylsulfonyl)phenyl]acetate, Methyl [4-(4-morpholinylsulfonyl)phenyl]acetate #
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 213325-29-2 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2 |
| InChIKey | NYZOHVGGRFFBEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester (CAS 213325-29-2), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate.
Chemical Property Profile of Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester
Property Insights of Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester 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 Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester?
The CAS number of Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester is 213325-29-2.
What is the molecular formula of Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester?
The molecular formula of Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester is C13H17NO5S.
What is the molecular weight of Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester?
The molecular weight of Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester is 299.08 g/mol.
Where can I buy Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester?
You can request a quote for Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(4-morpholinosulfonylphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.