ChemDiv1_002360
TL;DR: ChemDiv1_002360 (CAS 313381-58-7) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002360, BAS 01108185, A1167/0054351, prop-2-enyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, prop-2-en-1-yl 6'-amino-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 313381-58-7 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C#N)C(=O)OCC=C |
| InChIKey | JQUGBSVMGOLEHI-UHFFFAOYSA-N |
Product Overview
ChemDiv1_002360 (CAS 313381-58-7), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: prop-2-enyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002360
Property Insights of ChemDiv1_002360
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002360. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002360. Following Lipinski's Rule of Five, ChemDiv1_002360 has 2 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 ChemDiv1_002360?
The CAS number of ChemDiv1_002360 is 313381-58-7.
What is the molecular formula of ChemDiv1_002360?
The molecular formula of ChemDiv1_002360 is C18H15N3O4.
What is the molecular weight of ChemDiv1_002360?
The molecular weight of ChemDiv1_002360 is 337.11 g/mol.
Where can I buy ChemDiv1_002360?
You can request a quote for ChemDiv1_002360 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002360?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.