Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
TL;DR: Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- (CAS 146772-45-4) is a chemical compound with molecular formula C31H34N2O2S and molecular weight 498.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) 4-pyrrolidin-1-ylbenzenecarbothioate
Also Known As: Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-, 7,7-Diphenyl-2-{[4-(pyrrolidin-1-yl)benzoyl]sulfanyl}octahydro-1H-isoindol-4-ol, S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) 4-pyrrolidin-1-ylbenzenecarbothioate, S-(7-Hydroxy-4,4-diphenyloctahydro-2H-isoindol-2-yl) 4-(pyrrolidin-1-yl)benzene-1-carbothioate, RefChem:385355
| Molecular Formula | C31H34N2O2S |
|---|---|
| Molecular Weight | 498.23 g/mol |
| LogP | 5.7642 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.2341 |
| Heavy Atoms | 36 |
| Complexity | 1138.717 |
Chemical Identifiers
| CAS Number | 146772-45-4 |
|---|---|
| SMILES | C1CCN(C1)C2=CC=C(C=C2)C(=O)SN3CC4C(CCC(C4C3)(C5=CC=CC=C5)C6=CC=CC=C6)O |
Product Overview
Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- (CAS 146772-45-4), with molecular formula C31H34N2O2S and molecular weight 498.23 g/mol. IUPAC: S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) 4-pyrrolidin-1-ylbenzenecarbothioate.
Chemical Property Profile of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
Property Insights of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
The XLogP value of 5.7642 indicates that Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.78 Ų, Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
The CAS number of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is 146772-45-4.
What is the molecular formula of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
The molecular formula of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is C31H34N2O2S.
What is the molecular weight of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
The molecular weight of Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- is 498.23 g/mol.
Where can I buy Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
You can request a quote for Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 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-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-(1-pyrrolidinyl)phenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.