Adamantan-1-yl 4-methylbenzene-1-sulfonate
TL;DR: Adamantan-1-yl 4-methylbenzene-1-sulfonate (CAS 16200-57-0) is a chemical compound with molecular formula C17H22O3S and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl 4-methylbenzenesulfonate
Also Known As: adamantyl tosylate, 1-adamantyl 4-methylbenzenesulfonate, adamantan-1-yl 4-methylbenzene-1-sulfonate, 1-(4-methylphenyl)sulfonyloxyadamantane, p-Toluenesulfonic acid 1-adamantyl ester
| Molecular Formula | C17H22O3S |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 3.66912 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.12897 |
| Heavy Atoms | 21 |
| Complexity | 609.8335 |
Chemical Identifiers
| CAS Number | 16200-57-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC23CC4CC(C2)CC(C4)C3 |
Product Overview
Adamantan-1-yl 4-methylbenzene-1-sulfonate (CAS 16200-57-0), with molecular formula C17H22O3S and molecular weight 306.13 g/mol. IUPAC: 1-adamantyl 4-methylbenzenesulfonate.
Chemical Property Profile of Adamantan-1-yl 4-methylbenzene-1-sulfonate
Property Insights of Adamantan-1-yl 4-methylbenzene-1-sulfonate
The XLogP value of 3.66912 indicates that Adamantan-1-yl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Adamantan-1-yl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantan-1-yl 4-methylbenzene-1-sulfonate 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 Adamantan-1-yl 4-methylbenzene-1-sulfonate?
The CAS number of Adamantan-1-yl 4-methylbenzene-1-sulfonate is 16200-57-0.
What is the molecular formula of Adamantan-1-yl 4-methylbenzene-1-sulfonate?
The molecular formula of Adamantan-1-yl 4-methylbenzene-1-sulfonate is C17H22O3S.
What is the molecular weight of Adamantan-1-yl 4-methylbenzene-1-sulfonate?
The molecular weight of Adamantan-1-yl 4-methylbenzene-1-sulfonate is 306.13 g/mol.
Where can I buy Adamantan-1-yl 4-methylbenzene-1-sulfonate?
You can request a quote for Adamantan-1-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantan-1-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Adamantan-1-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.