4-(1-Adamantylsulfonyl)aniline
TL;DR: 4-(1-Adamantylsulfonyl)aniline (CAS 69168-09-8) is a chemical compound with molecular formula C16H21NO2S and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantylsulfonyl)aniline
Also Known As: 4-(1-adamantylsulfonyl)aniline, 1-Acetyl-6-chloroindoline, 4-(tricyclo[3.3.1.13,7]dec-1-ylsulfonyl)aniline, 4-(Tricyclo[3.3.1.1~3,7~]decane-1-sulfonyl)aniline, Benzenamine,4-(tricyclo[3.3.1.13,7]dec-1-ylsulfonyl)-
| Molecular Formula | C16H21NO2S |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.1293 |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 69168-09-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)S(=O)(=O)C4=CC=C(C=C4)N |
| InChIKey | DKRQODSPBOIAOG-UHFFFAOYSA-N |
Product Overview
4-(1-Adamantylsulfonyl)aniline (CAS 69168-09-8), with molecular formula C16H21NO2S and molecular weight 291.13 g/mol. IUPAC: 4-(1-adamantylsulfonyl)aniline.
Chemical Property Profile of 4-(1-Adamantylsulfonyl)aniline
Property Insights of 4-(1-Adamantylsulfonyl)aniline
The XLogP value of 3.2 indicates that 4-(1-Adamantylsulfonyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Adamantylsulfonyl)aniline. Following Lipinski's Rule of Five, 4-(1-Adamantylsulfonyl)aniline has 1 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 4-(1-Adamantylsulfonyl)aniline?
The CAS number of 4-(1-Adamantylsulfonyl)aniline is 69168-09-8.
What is the molecular formula of 4-(1-Adamantylsulfonyl)aniline?
The molecular formula of 4-(1-Adamantylsulfonyl)aniline is C16H21NO2S.
What is the molecular weight of 4-(1-Adamantylsulfonyl)aniline?
The molecular weight of 4-(1-Adamantylsulfonyl)aniline is 291.13 g/mol.
Where can I buy 4-(1-Adamantylsulfonyl)aniline?
You can request a quote for 4-(1-Adamantylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.