![2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione structure](/static/products/1005/1005117-53-2.webp)
2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005117-53-2) is a chemical compound with molecular formula C21H16ClNO2S and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenyl)sulfanylphenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-[4-(4-chlorophenyl)sulfanylphenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 4-[4-(4-chlorophenylthio)phenyl]-4-azatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dion e, 4-{4-[(4-chlorophenyl)sulfanyl]phenyl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 2-(4-((4-chlorophenyl)thio)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C21H16ClNO2S |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 4.8027 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.05902 |
| Heavy Atoms | 26 |
| Complexity | 892.03217 |
Chemical Identifiers
| CAS Number | 1005117-53-2 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)Cl |
Product Overview
2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005117-53-2), with molecular formula C21H16ClNO2S and molecular weight 381.06 g/mol. IUPAC: 4-[4-(4-chlorophenyl)sulfanylphenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 4.8027 indicates that 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 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 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1005117-53-2.
What is the molecular formula of 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C21H16ClNO2S.
What is the molecular weight of 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 381.06 g/mol.
Where can I buy 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(4-chlorophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.