![(2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide structure](/static/products/956/956435-59-9.png)
(2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide
TL;DR: (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide (CAS 956435-59-9) is a chemical compound with molecular formula C22H22ClN3O3 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,8S)-N-(5-chloro-2-methoxyphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
Also Known As: (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide, (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide, (2S,3R,8S)-N-(5-chloro-2-methoxyphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
| Molecular Formula | C22H22ClN3O3 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.619 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.13498 |
| Heavy Atoms | 29 |
| Complexity | 1010.54706 |
Chemical Identifiers
| CAS Number | 956435-59-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]24C5=CC=CC=C5NC4=O |
Product Overview
(2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide (CAS 956435-59-9), with molecular formula C22H22ClN3O3 and molecular weight 411.13 g/mol. IUPAC: (2S,3R,8S)-N-(5-chloro-2-methoxyphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.
Chemical Property Profile of (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide
Property Insights of (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide
The XLogP value of 3.619 indicates that (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide. Following Lipinski's Rule of Five, (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide has 2 hydrogen bond donor(s) and 4 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 (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide?
The CAS number of (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide is 956435-59-9.
What is the molecular formula of (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide?
The molecular formula of (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide is C22H22ClN3O3.
What is the molecular weight of (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide?
The molecular weight of (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide is 411.13 g/mol.
Where can I buy (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide?
You can request a quote for (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2'S,3R,7a'S)-N-(5-chloro-2-methoxyphenyl)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-2'-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.