IDI1_022572
TL;DR: IDI1_022572 (CAS 476462-97-2) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
Also Known As: IDI1_022572, BRD-K02866550-001-01-9, (E)-3-(1,3-benzodioxol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-N-[5-(methylethyl)(1,3,4-thiadiazol- 2-yl)]prop-2-enamide
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 476462-97-2 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
| InChIKey | NYYNLZPVQNWFJV-GQCTYLIASA-N |
Product Overview
IDI1_022572 (CAS 476462-97-2), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
Chemical Property Profile of IDI1_022572
Property Insights of IDI1_022572
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_022572. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_022572. Following Lipinski's Rule of Five, IDI1_022572 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 IDI1_022572?
The CAS number of IDI1_022572 is 476462-97-2.
What is the molecular formula of IDI1_022572?
The molecular formula of IDI1_022572 is C15H15N3O3S.
What is the molecular weight of IDI1_022572?
The molecular weight of IDI1_022572 is 317.08 g/mol.
Where can I buy IDI1_022572?
You can request a quote for IDI1_022572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_022572?
Yes, KEHONG BIO provides custom synthesis services for IDI1_022572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.