ChemDiv1_011443
TL;DR: ChemDiv1_011443 (CAS 300731-75-3) is a chemical compound with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-5'-cyano-5-methyl-2-oxo-2'-propylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_011443, BAS 01122800, A1680/0071721, ethyl 2'-amino-3'-cyano-5-methyl-2-oxo-6'-propylspiro[indoline-3,4'-pyran]-5'-carboxylate, ethyl 6'-amino-5'-cyano-5-methyl-2-oxo-2'-propylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C20H21N3O4 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.1532 |
| Heavy Atoms | 27 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 300731-75-3 |
|---|---|
| SMILES | CCCC1=C(C2(C3=C(C=CC(=C3)C)NC2=O)C(=C(O1)N)C#N)C(=O)OCC |
| InChIKey | AZQOIZUBXQBDLC-UHFFFAOYSA-N |
Product Overview
ChemDiv1_011443 (CAS 300731-75-3), with molecular formula C20H21N3O4 and molecular weight 367.15 g/mol. IUPAC: ethyl 6'-amino-5'-cyano-5-methyl-2-oxo-2'-propylspiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_011443
Property Insights of ChemDiv1_011443
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011443. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011443. Following Lipinski's Rule of Five, ChemDiv1_011443 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_011443?
The CAS number of ChemDiv1_011443 is 300731-75-3.
What is the molecular formula of ChemDiv1_011443?
The molecular formula of ChemDiv1_011443 is C20H21N3O4.
What is the molecular weight of ChemDiv1_011443?
The molecular weight of ChemDiv1_011443 is 367.15 g/mol.
Where can I buy ChemDiv1_011443?
You can request a quote for ChemDiv1_011443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011443?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.