2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol
TL;DR: 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol (CAS 146772-46-5) is a chemical compound with molecular formula C27H27NO2S and molecular weight 429.18 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) benzenecarbothioate
Also Known As: Diphenyl-4,4 phenylacetyl-6 oxyde-1 perhydrothiopyrano(2,3-c)pyrrole-(1RS,4aRS,7aRS) [French], 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol, Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(phenylacetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-, Diphenyl-4,4 phenylacetyl-6 oxyde-1 perhydrothiopyrano(2,3-c)pyrrole-(1RS,4aRS,7aRS), S-(7-Hydroxy-4,4-diphenyloctahydro-2H-isoindol-2-yl) benzenecarbothioate
| Molecular Formula | C27H27NO2S |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 5.164 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.17624 |
| Heavy Atoms | 31 |
| Complexity | 985.3766 |
Chemical Identifiers
| CAS Number | 146772-46-5 |
|---|---|
| SMILES | C1CC(C2CN(CC2C1O)SC(=O)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol (CAS 146772-46-5), with molecular formula C27H27NO2S and molecular weight 429.18 g/mol. IUPAC: S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate.
Chemical Property Profile of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol
Property Insights of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol
The XLogP value of 5.164 indicates that 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol?
The CAS number of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol is 146772-46-5.
What is the molecular formula of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol?
The molecular formula of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol is C27H27NO2S.
What is the molecular weight of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol?
The molecular weight of 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol is 429.18 g/mol.
Where can I buy 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol?
You can request a quote for 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzoylsulfanyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.