1-Adamantylmethyl 4-methylbenzenesulfonate
TL;DR: 1-Adamantylmethyl 4-methylbenzenesulfonate (CAS 795-63-1) is a chemical compound with molecular formula C18H24O3S and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantylmethyl 4-methylbenzenesulfonate
Also Known As: Maybridge1_002401, 1-Adamantylmethyl tosylate, DivK1c_001153, 1-adamantylmethyl 4-methylbenzenesulfonate, 1-adamantylmethyl p-toluenesulfonate
| Molecular Formula | C18H24O3S |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 3.91672 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.14462 |
| Heavy Atoms | 22 |
| Complexity | 624.7934 |
Chemical Identifiers
| CAS Number | 795-63-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)CC(C4)C3 |
Product Overview
1-Adamantylmethyl 4-methylbenzenesulfonate (CAS 795-63-1), with molecular formula C18H24O3S and molecular weight 320.14 g/mol. IUPAC: 1-adamantylmethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-Adamantylmethyl 4-methylbenzenesulfonate
Property Insights of 1-Adamantylmethyl 4-methylbenzenesulfonate
The XLogP value of 3.91672 indicates that 1-Adamantylmethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 1-Adamantylmethyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantylmethyl 4-methylbenzenesulfonate 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 1-Adamantylmethyl 4-methylbenzenesulfonate?
The CAS number of 1-Adamantylmethyl 4-methylbenzenesulfonate is 795-63-1.
What is the molecular formula of 1-Adamantylmethyl 4-methylbenzenesulfonate?
The molecular formula of 1-Adamantylmethyl 4-methylbenzenesulfonate is C18H24O3S.
What is the molecular weight of 1-Adamantylmethyl 4-methylbenzenesulfonate?
The molecular weight of 1-Adamantylmethyl 4-methylbenzenesulfonate is 320.14 g/mol.
Where can I buy 1-Adamantylmethyl 4-methylbenzenesulfonate?
You can request a quote for 1-Adamantylmethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantylmethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantylmethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.