![3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one structure](/static/products/4551/4551-99-9.webp)
3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
TL;DR: 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one (CAS 4551-99-9) is a chemical compound with molecular formula C28H30ClNO3 and molecular weight 463.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
Also Known As: 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one, 3-(2-adamantanyl-2-oxoethyl)-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indo lin-2-one, 3-[2-(1-adamantyl)-2-oxo-ethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one, 3-[2-(Adamantan-1-yl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]-1,3-dihydro-2H-indol-2-one, 5-chloro-3-hydroxy-1-(4-methylbenzyl)-3-[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C28H30ClNO3 |
|---|---|
| Molecular Weight | 463.19 g/mol |
| LogP | 5.55842 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.1914 |
| Heavy Atoms | 33 |
| Complexity | 1105.0474 |
Chemical Identifiers
| CAS Number | 4551-99-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(C2=O)(CC(=O)C45CC6CC(C4)CC(C6)C5)O |
Product Overview
3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one (CAS 4551-99-9), with molecular formula C28H30ClNO3 and molecular weight 463.19 g/mol. IUPAC: 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one.
Chemical Property Profile of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
Property Insights of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
The XLogP value of 5.55842 indicates that 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
The CAS number of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one is 4551-99-9.
What is the molecular formula of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
The molecular formula of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one is C28H30ClNO3.
What is the molecular weight of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
The molecular weight of 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one is 463.19 g/mol.
Where can I buy 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
You can request a quote for 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.