Acetazolamide adipate ethyl ester
TL;DR: Acetazolamide adipate ethyl ester (CAS 111261-83-7) is a chemical compound with molecular formula C12H18N4O6S2 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-6-oxohexanoate
Also Known As: AAOEt, Acetazolamide adipate ethyl ester, ethyl 6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-6-oxohexanoate, Ethyl 6-(5-acetamido-1,3,4-thiadiazole-2-sulfonamido)-6-oxohexanoate, Hexanoic acid, 6-(((5-(acetylamino)-1,3,4-thiadiazol-2-yl)sulfonyl)amino-6-oxo-, ethyl ester
| Molecular Formula | C12H18N4O6S2 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 0.4249 |
| Topological Polar Surface Area | 144.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 378.06677 |
| Heavy Atoms | 24 |
| Complexity | 700.1562 |
Chemical Identifiers
| CAS Number | 111261-83-7 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)NS(=O)(=O)C1=NN=C(S1)NC(=O)C |
Product Overview
Acetazolamide adipate ethyl ester (CAS 111261-83-7), with molecular formula C12H18N4O6S2 and molecular weight 378.07 g/mol. IUPAC: ethyl 6-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-6-oxohexanoate.
Chemical Property Profile of Acetazolamide adipate ethyl ester
Property Insights of Acetazolamide adipate ethyl ester
The XLogP value of 0.4249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetazolamide adipate ethyl ester. The TPSA of 144.42 Ų indicates high polarity, suggesting Acetazolamide adipate ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetazolamide adipate ethyl ester has 2 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 Acetazolamide adipate ethyl ester?
The CAS number of Acetazolamide adipate ethyl ester is 111261-83-7.
What is the molecular formula of Acetazolamide adipate ethyl ester?
The molecular formula of Acetazolamide adipate ethyl ester is C12H18N4O6S2.
What is the molecular weight of Acetazolamide adipate ethyl ester?
The molecular weight of Acetazolamide adipate ethyl ester is 378.07 g/mol.
Where can I buy Acetazolamide adipate ethyl ester?
You can request a quote for Acetazolamide adipate ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetazolamide adipate ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetazolamide adipate ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.