Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate
TL;DR: Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate (CAS 333412-38-7) is a chemical compound with molecular formula C16H21ClN2O6S and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoate
Also Known As: BAS 02643639, methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate, 4-Chloro-5-(morpholine-4-sulfonyl)-2-morpholin-4-yl-benzoic acid methyl ester, methyl 4-chloro-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoate, METHYL 4-CHLORO-2-MORPHOLINO-5-(MORPHOLINOSULFONYL)BENZOATE
| Molecular Formula | C16H21ClN2O6S |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 0.9841 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.08087 |
| Heavy Atoms | 26 |
| Complexity | 773.1898 |
Chemical Identifiers
| CAS Number | 333412-38-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1N2CCOCC2)Cl)S(=O)(=O)N3CCOCC3 |
Product Overview
Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate (CAS 333412-38-7), with molecular formula C16H21ClN2O6S and molecular weight 404.08 g/mol. IUPAC: methyl 4-chloro-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoate.
Chemical Property Profile of Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate
Property Insights of Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate
The XLogP value of 0.9841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate has 0 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 Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate?
The CAS number of Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate is 333412-38-7.
What is the molecular formula of Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate?
The molecular formula of Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate is C16H21ClN2O6S.
What is the molecular weight of Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate?
The molecular weight of Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate is 404.08 g/mol.
Where can I buy Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate?
You can request a quote for Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.