![5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one structure](/static/products/4201/420111-95-1.webp)
5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one
TL;DR: 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one (CAS 420111-95-1) is a chemical compound with molecular formula C15H16BrNO3S and molecular weight 369.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-(4-methylphenyl)sulfonyl-5,6,7,7a-tetrahydro-3aH-indol-4-one
Also Known As: Bionet1_004238, DivK1c_002734, CDS1_001694, 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one, 9P-046
| Molecular Formula | C15H16BrNO3S |
|---|---|
| Molecular Weight | 369.00 g/mol |
| LogP | 2.62422 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.00342 |
| Heavy Atoms | 21 |
| Complexity | 696.13385 |
Chemical Identifiers
| CAS Number | 420111-95-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3C2CCC(C3=O)Br |
Product Overview
5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one (CAS 420111-95-1), with molecular formula C15H16BrNO3S and molecular weight 369.00 g/mol. IUPAC: 5-bromo-1-(4-methylphenyl)sulfonyl-5,6,7,7a-tetrahydro-3aH-indol-4-one.
Chemical Property Profile of 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one
Property Insights of 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one
The XLogP value of 2.62422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one. With a topological polar surface area (TPSA) of 54.45 Ų, 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one 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 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one?
The CAS number of 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one is 420111-95-1.
What is the molecular formula of 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one?
The molecular formula of 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one is C15H16BrNO3S.
What is the molecular weight of 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one?
The molecular weight of 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one is 369.00 g/mol.
Where can I buy 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one?
You can request a quote for 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1-[(4-methylphenyl)sulfonyl]-1,3a,5,6,7,7a-hexahydro-4H-indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.