![Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester structure](/static/products/6497/64977-07-7.webp)
Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester
TL;DR: Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester (CAS 64977-07-7) is a chemical compound with molecular formula C15H23NO8S2 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]benzoate
Also Known As: Benzoic acid, ethyl ester, Benzoic acid, methyl ester, NCI60_004455, ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]benzoate, Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester
| Molecular Formula | C15H23NO8S2 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 409.08652 |
| Heavy Atoms | 26 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 64977-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C |
| InChIKey | GLYHKOMBOQZZTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester (CAS 64977-07-7), with molecular formula C15H23NO8S2 and molecular weight 409.09 g/mol. IUPAC: ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester
Property Insights of Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester has 0 hydrogen bond donor(s) and 9 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 Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester?
The CAS number of Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester is 64977-07-7.
What is the molecular formula of Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester?
The molecular formula of Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester is C15H23NO8S2.
What is the molecular weight of Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester?
The molecular weight of Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester is 409.09 g/mol.
Where can I buy Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester?
You can request a quote for Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.