Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-
TL;DR: Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- (CAS 52949-88-9) is a chemical compound with molecular formula C25H27NO2S and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diphenyl-2-pyrrolidin-1-yl-3λ6-thiatricyclo[5.2.1.02,6]dec-4-ene 3,3-dioxide
Also Known As: Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-, 2,3-Diphenyl-7a-(pyrrolidin-1-yl)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methano-1lambda~6~-1-benzothiophene-1,1-dione
| Molecular Formula | C25H27NO2S |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 4.8215 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.17624 |
| Heavy Atoms | 29 |
| Complexity | 1070.3212 |
Chemical Identifiers
| CAS Number | 52949-88-9 |
|---|---|
| SMILES | C1CCN(C1)C23C4CCC(C4)C2C(=C(S3(=O)=O)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- (CAS 52949-88-9), with molecular formula C25H27NO2S and molecular weight 405.18 g/mol. IUPAC: 4,5-diphenyl-2-pyrrolidin-1-yl-3λ6-thiatricyclo[5.2.1.02,6]dec-4-ene 3,3-dioxide.
Chemical Property Profile of Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-
Property Insights of Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-
The XLogP value of 4.8215 indicates that Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- has 0 hydrogen bond donor(s) and 3 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 Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The CAS number of Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- is 52949-88-9.
What is the molecular formula of Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The molecular formula of Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- is C25H27NO2S.
What is the molecular weight of Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The molecular weight of Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- is 405.18 g/mol.
Where can I buy Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-?
You can request a quote for Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(4,5,6,7-tetrahydro-2,3-diphenyl-4,7-methanobenzo(b)thien-7a(3ah)-yl)-, S,S-dioxide, (3a-alpha,4-beta,7-beta,7a-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.