![(S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate structure](/static/products/121/1212126-03-8.webp)
(S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
TL;DR: (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212126-03-8) is a chemical compound with molecular formula C20H21BrN2O5 and molecular weight 448.0634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl (3S)-5'-acetyl-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, butyl (3S)-5'-acetyl-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Technical Specifications
| Molecular Formula | C20H21BrN2O5 |
| Molecular Weight | 448.0634 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0634 Da |
| Heavy Atoms | 28 |
| Complexity | 775.0 |
| SMILES | CCCCOC(=O)C1=C(OC(=C([C@@]12C3=C(C=CC(=C3)Br)NC2=O)C(=O)C)C)N |
| InChIKey | BAXMQULYVVHJTI-FQEVSTJZSA-N |
Chemical Property Profile of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
Property Insights of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate. Following Lipinski's Rule of Five, (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate 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
What is the CAS number of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The CAS number of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 1212126-03-8.
What is the molecular formula of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The molecular formula of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is C20H21BrN2O5.
What is the molecular weight of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The molecular weight of (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 448.0634 g/mol.
Where can I buy (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
You can request a quote for (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
Yes, CoreyChem provides custom synthesis services for (S)-butyl 3'-acetyl-6'-amino-5-bromo-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.