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(S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate structure
Fine Chemical

(S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate

TL;DR: (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212369-79-3) is a chemical compound with molecular formula C25H30N2O6 and molecular weight 454.2104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-O'-butyl 5-O'-propan-2-yl (3S)-2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate

Also Known As: (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-butyl 5-O'-propan-2-yl (3S)-2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate

CAS Number
1212369-79-3
Molecular Formula
C25H30N2O6
Molecular Weight
454.2104 g/mol
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Technical Specifications

Molecular FormulaC25H30N2O6
Molecular Weight454.2104 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)108.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds10
Exact Mass454.2104 Da
Heavy Atoms33
Complexity889.0
SMILESCCCCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3N(C2=O)CC=C)C(=O)OC(C)C)C)N
InChIKeyRLWNTTAAYLDUIV-VWLOTQADSA-N

Chemical Property Profile of (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate

XLogP
3.8
TPSA (Topological Polar Surface Area)
108.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
10
Heavy Atoms
33
Complexity
889.0
Exact Mass
454.2104
Monoisotopic Mass
454.2104
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate

The XLogP value of 3.8 indicates that (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-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 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 1 hydrogen bond donor(s) and 7 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)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?

The CAS number of (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212369-79-3.

What is the molecular formula of (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?

The molecular formula of (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C25H30N2O6.

What is the molecular weight of (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?

The molecular weight of (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 454.2104 g/mol.

Where can I buy (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?

You can request a quote for (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate?

Yes, CoreyChem provides custom synthesis services for (S)-3'-butyl 5'-isopropyl 1-allyl-2'-amino-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.

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