![tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/488/488133-02-4.png)
tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 488133-02-4) is a chemical compound with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, (R)-tert-butyl 1-allyl-2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C22H23N3O4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 2.79678 |
| Topological Polar Surface Area | 105.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.16885 |
| Heavy Atoms | 29 |
| Complexity | 1023.22833 |
Chemical Identifiers
| CAS Number | 488133-02-4 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3N(C2=O)CC=C)C(=C(O1)N)C#N)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 488133-02-4), with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol. IUPAC: tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 2.79678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate. The TPSA of 105.65 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate 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 tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 488133-02-4.
What is the molecular formula of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is C22H23N3O4.
What is the molecular weight of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 393.17 g/mol.
Where can I buy tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.