ChemDiv2_004960
TL;DR: ChemDiv2_004960 (CAS 60093-60-9) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
Also Known As: ChemDiv2_004960, IDI1_003675, 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide, 2-Isobutyl-1,3-dioxo-N-(thiazol-2-yl)isoindoline-5-carboxamide, A2052/0086277
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 60093-60-9 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 |
| InChIKey | GQNGIQUHBDDNMN-UHFFFAOYSA-N |
Product Overview
ChemDiv2_004960 (CAS 60093-60-9), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: 2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
Chemical Property Profile of ChemDiv2_004960
Property Insights of ChemDiv2_004960
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004960. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004960. Following Lipinski's Rule of Five, ChemDiv2_004960 has 1 hydrogen bond donor(s) and 5 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 ChemDiv2_004960?
The CAS number of ChemDiv2_004960 is 60093-60-9.
What is the molecular formula of ChemDiv2_004960?
The molecular formula of ChemDiv2_004960 is C16H15N3O3S.
What is the molecular weight of ChemDiv2_004960?
The molecular weight of ChemDiv2_004960 is 329.08 g/mol.
Where can I buy ChemDiv2_004960?
You can request a quote for ChemDiv2_004960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004960?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.