![(R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate structure](/static/products/121/1212311-95-9.png)
(R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
TL;DR: (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212311-95-9) is a chemical compound with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, tert-butyl (3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, tert-butyl (3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C21H22N4O5 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 1.09608 |
| Topological Polar Surface Area | 148.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.15903 |
| Heavy Atoms | 30 |
| Complexity | 1073.603 |
Chemical Identifiers
| CAS Number | 1212311-95-9 |
|---|---|
| SMILES | CC1=C([C@@]2(C3=CC=CC=C3N(C2=O)CC(=O)N)C(=C(O1)N)C#N)C(=O)OC(C)(C)C |
Product Overview
(R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212311-95-9), with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol. IUPAC: tert-butyl (3R)-6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
Property Insights of (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
The XLogP value of 1.09608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate. The TPSA of 148.74 Ų indicates high polarity, suggesting (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate has 2 hydrogen bond donor(s) and 7 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 (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The CAS number of (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 1212311-95-9.
What is the molecular formula of (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The molecular formula of (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is C21H22N4O5.
What is the molecular weight of (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The molecular weight of (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 410.16 g/mol.
Where can I buy (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
You can request a quote for (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (R)-tert-butyl 2'-amino-1-(2-amino-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.