![(1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile structure](/static/products/116/1164500-99-5.png)
(1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile
TL;DR: (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile (CAS 1164500-99-5) is a chemical compound with molecular formula C23H19N5O and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-2-amino-2'-oxo-1'-prop-2-enylspiro[4a,5,6,7-tetrahydronaphthalene-4,3'-indole]-1,3,3-tricarbonitrile
Also Known As: (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile
| Molecular Formula | C23H19N5O |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 2.96704 |
| Topological Polar Surface Area | 117.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.15897 |
| Heavy Atoms | 29 |
| Complexity | 1109.148 |
Chemical Identifiers
| CAS Number | 1164500-99-5 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2[C@@]3(C1=O)C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N |
Product Overview
(1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile (CAS 1164500-99-5), with molecular formula C23H19N5O and molecular weight 381.16 g/mol. IUPAC: (4S)-2-amino-2'-oxo-1'-prop-2-enylspiro[4a,5,6,7-tetrahydronaphthalene-4,3'-indole]-1,3,3-tricarbonitrile.
Chemical Property Profile of (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile
Property Insights of (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile
The XLogP value of 2.96704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile. The TPSA of 117.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile. Following Lipinski's Rule of Five, (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile has 1 hydrogen bond donor(s) and 5 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 (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile?
The CAS number of (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile is 1164500-99-5.
What is the molecular formula of (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile?
The molecular formula of (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile is C23H19N5O.
What is the molecular weight of (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile?
The molecular weight of (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile is 381.16 g/mol.
Where can I buy (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile?
You can request a quote for (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1'S)-1-allyl-3'-amino-2-oxo-6',7',8',8a'-tetrahydro-2'H-spiro[indoline-3,1'-naphthalene]-2',2',4'-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.