ChemDiv1_002234
TL;DR: ChemDiv1_002234 (CAS 313381-81-6) is a chemical compound with molecular formula C22H16BrN3O4 and molecular weight 465.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-5-bromo-5'-cyano-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002234, BAS 01108239, ethyl 2'-amino-5-bromo-3'-cyano-2-oxo-6'-phenylspiro[indoline-3,4'-pyran]-5'-carboxylate, ethyl 6-amino-11-bromo-5-cyano-8-oxo-2-phenylspiro[4H-pyran-4,3'-indoline]-3-c arboxylate, ethyl 6'-amino-5-bromo-5'-cyano-2-oxo-2'-phenyl-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C22H16BrN3O4 |
|---|---|
| Molecular Weight | 465.03 g/mol |
| LogP | 3.33748 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.0324 |
| Heavy Atoms | 30 |
| Complexity | 1180.614 |
Chemical Identifiers
| CAS Number | 313381-81-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)Br)NC2=O)C#N)N)C4=CC=CC=C4 |
Product Overview
ChemDiv1_002234 (CAS 313381-81-6), with molecular formula C22H16BrN3O4 and molecular weight 465.03 g/mol. IUPAC: ethyl 6'-amino-5-bromo-5'-cyano-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002234
Property Insights of ChemDiv1_002234
The XLogP value of 3.33748 indicates that ChemDiv1_002234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002234. Following Lipinski's Rule of Five, ChemDiv1_002234 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_002234?
The CAS number of ChemDiv1_002234 is 313381-81-6.
What is the molecular formula of ChemDiv1_002234?
The molecular formula of ChemDiv1_002234 is C22H16BrN3O4.
What is the molecular weight of ChemDiv1_002234?
The molecular weight of ChemDiv1_002234 is 465.03 g/mol.
Where can I buy ChemDiv1_002234?
You can request a quote for ChemDiv1_002234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002234?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.