2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
TL;DR: 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide (CAS 831209-04-2) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
Also Known As: 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide, 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide, 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindoline-5-carboxamide, 2-ISOPENTYL-N-(5-METHYL-1,3,4-THIADIAZOL-2-YL)-1,3-DIOXO-5-ISOINDOLINECARBOXAMIDE, 2-isopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindoline-5-carboxamide
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.74092 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 859.3279 |
Chemical Identifiers
| CAS Number | 831209-04-2 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C |
Product Overview
2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide (CAS 831209-04-2), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
Chemical Property Profile of 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
Property Insights of 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide
The XLogP value of 2.74092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide. Following Lipinski's Rule of Five, 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide has 1 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 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide?
The CAS number of 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide is 831209-04-2.
What is the molecular formula of 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide?
The molecular formula of 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide is C17H18N4O3S.
What is the molecular weight of 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide?
The molecular weight of 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide is 358.11 g/mol.
Where can I buy 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide?
You can request a quote for 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-5-isoindolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.