![(S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate structure](/static/products/121/1212201-63-2.png)
(S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
TL;DR: (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212201-63-2) is a chemical compound with molecular formula C21H23BrN2O6 and molecular weight 478.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O'-butyl 5-O'-ethyl (3S)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-butyl 5-O'-ethyl (3S)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C21H23BrN2O6 |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | 3.0199 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.07394 |
| Heavy Atoms | 30 |
| Complexity | 983.70874 |
Chemical Identifiers
| CAS Number | 1212201-63-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(OC(=C([C@@]12C3=C(C=CC(=C3)Br)NC2=O)C(=O)OCC)C)N |
Product Overview
(S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212201-63-2), with molecular formula C21H23BrN2O6 and molecular weight 478.07 g/mol. IUPAC: 3-O'-butyl 5-O'-ethyl (3S)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
Property Insights of (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
The XLogP value of 3.0199 indicates that (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate 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 (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?
The CAS number of (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212201-63-2.
What is the molecular formula of (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?
The molecular formula of (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C21H23BrN2O6.
What is the molecular weight of (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?
The molecular weight of (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 478.07 g/mol.
Where can I buy (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?
You can request a quote for (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3'-butyl 5'-ethyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.