![methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate structure](/static/products/101/1014089-10-1.png)
methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate (CAS 1014089-10-1) is a chemical compound with molecular formula C26H27N3O5S and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3aR,4S,8aS,8bS)-1'-ethyl-1,2',3-trioxospiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-2-yl]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[(3aR,4S,8aS,8bS)-1'-ethyl-1,2',3-trioxospiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-2-yl]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C26H27N3O5S |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 2.99714 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 493.16714 |
| Heavy Atoms | 35 |
| Complexity | 1318.0508 |
Chemical Identifiers
| CAS Number | 1014089-10-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2[C@]3(C1=O)[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=C(C(=C(S6)C)C)C(=O)OC |
Product Overview
methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate (CAS 1014089-10-1), with molecular formula C26H27N3O5S and molecular weight 493.17 g/mol. IUPAC: methyl 2-[(3aR,4S,8aS,8bS)-1'-ethyl-1,2',3-trioxospiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indole]-2-yl]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 2.99714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate is 1014089-10-1.
What is the molecular formula of methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate is C26H27N3O5S.
What is the molecular weight of methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate is 493.17 g/mol.
Where can I buy methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3S,3a'R,8a'S,8b'S)-1-ethyl-1',2,3'-trioxo-3',3a',6',7',8',8a'-hexahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-2'(8b'H)-yl)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.