Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
TL;DR: Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- (CAS 146772-44-3) is a chemical compound with molecular formula C29H32N2O2S and molecular weight 472.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminophenyl)-1-(7-benzyl-4-hydroxy-7-phenylsulfanyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanone
Also Known As: Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-, 2-(2-aminophenyl)-1-(7-benzyl-4-hydroxy-7-phenylsulfanyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanone, 2-(2-Aminophenyl)-1-[4-benzyl-7-hydroxy-4-(phenylsulfanyl)octahydro-2H-isoindol-2-yl]ethan-1-one, RefChem:385370
| Molecular Formula | C29H32N2O2S |
|---|---|
| Molecular Weight | 472.22 g/mol |
| LogP | 4.8144 |
| Topological Polar Surface Area | 66.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.21844 |
| Heavy Atoms | 34 |
| Complexity | 1079.7441 |
Chemical Identifiers
| CAS Number | 146772-44-3 |
|---|---|
| SMILES | C1CC(C2CN(CC2C1O)C(=O)CC3=CC=CC=C3N)(CC4=CC=CC=C4)SC5=CC=CC=C5 |
Product Overview
Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- (CAS 146772-44-3), with molecular formula C29H32N2O2S and molecular weight 472.22 g/mol. IUPAC: 2-(2-aminophenyl)-1-(7-benzyl-4-hydroxy-7-phenylsulfanyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanone.
Chemical Property Profile of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
Property Insights of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
The XLogP value of 4.8144 indicates that Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-. Following Lipinski's Rule of Five, Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- 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 Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
The CAS number of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is 146772-44-3.
What is the molecular formula of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
The molecular formula of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is C29H32N2O2S.
What is the molecular weight of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
The molecular weight of Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is 472.22 g/mol.
Where can I buy Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
You can request a quote for Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.