ChemDiv1_002276
TL;DR: ChemDiv1_002276 (CAS 313381-76-9) is a chemical compound with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002276, BAS 01108221, AB00092849-01, A0531/0024553, benzyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C22H17N3O4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 2.61798 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.12192 |
| Heavy Atoms | 29 |
| Complexity | 1128.2465 |
Chemical Identifiers
| CAS Number | 313381-76-9 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C#N)C(=O)OCC4=CC=CC=C4 |
Product Overview
ChemDiv1_002276 (CAS 313381-76-9), with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol. IUPAC: benzyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ChemDiv1_002276
Property Insights of ChemDiv1_002276
The XLogP value of 2.61798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002276. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002276. Following Lipinski's Rule of Five, ChemDiv1_002276 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_002276?
The CAS number of ChemDiv1_002276 is 313381-76-9.
What is the molecular formula of ChemDiv1_002276?
The molecular formula of ChemDiv1_002276 is C22H17N3O4.
What is the molecular weight of ChemDiv1_002276?
The molecular weight of ChemDiv1_002276 is 387.12 g/mol.
Where can I buy ChemDiv1_002276?
You can request a quote for ChemDiv1_002276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002276?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.