![(S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate structure](/static/products/121/1212075-01-8.png)
(S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
TL;DR: (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212075-01-8) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, methyl (3S)-6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, Methyl 6'-amino-5'-cyano-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 1212075-01-8 |
|---|---|
| SMILES | CC1=C([C@]2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C#N)C(=O)OC |
| InChIKey | VAFPLRVGDUHTRR-INIZCTEOSA-N |
Product Overview
(S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212075-01-8), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: methyl (3S)-6'-amino-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
Property Insights of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate. Following Lipinski's Rule of Five, (S)-methyl 2'-amino-3'-cyano-6'-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
Frequently Asked Questions
What is the CAS number of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The CAS number of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 1212075-01-8.
What is the molecular formula of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The molecular formula of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is C16H13N3O4.
What is the molecular weight of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
The molecular weight of (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 311.09 g/mol.
Where can I buy (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
You can request a quote for (S)-methyl 2'-amino-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 (S)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2'-amino-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.