![(S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate structure](/static/products/121/1212318-56-3.png)
(S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
TL;DR: (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate (CAS 1212318-56-3) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4S)-2-amino-2',5-dioxo-1'-prop-2-ynylspiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
Also Known As: (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate, ethyl (4S)-2-amino-2',5-dioxo-1'-prop-2-ynylspiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 1.6749 |
| Topological Polar Surface Area | 98.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 1045.5275 |
Chemical Identifiers
| CAS Number | 1212318-56-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C([C@@]13C4=CC=CC=C4N(C3=O)CC#C)C(=O)CCC2)N |
Product Overview
(S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate (CAS 1212318-56-3), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: ethyl (4S)-2-amino-2',5-dioxo-1'-prop-2-ynylspiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate.
Chemical Property Profile of (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
Property Insights of (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
The XLogP value of 1.6749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate. The TPSA of 98.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate. Following Lipinski's Rule of Five, (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate has 1 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)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate?
The CAS number of (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 1212318-56-3.
What is the molecular formula of (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate?
The molecular formula of (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is C22H20N2O5.
What is the molecular weight of (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate?
The molecular weight of (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 392.14 g/mol.
Where can I buy (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate?
You can request a quote for (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.