1,3-adamantanedimethanol di-p-tosylate
TL;DR: 1,3-adamantanedimethanol di-p-tosylate (CAS 159459-84-4) is a chemical compound with molecular formula C26H32O6S2 and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-methylphenyl)sulfonyloxymethyl]-1-adamantyl]methyl 4-methylbenzenesulfonate
Also Known As: 1,3-adamantanedimethanol di-p-tosylate, 1,3-bis[(4-methylphenyl)sulfonyloxymethyl]adamantane, [3-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-adamantyl]methyl 4-methylbenzenesulfonate, [3-[(4-methylphenyl)sulfonyloxymethyl]-1-adamantyl]methyl 4-methylbenzenesulfonate, (3-{[(4-METHYLBENZENESULFONYL)OXY]METHYL}ADAMANTAN-1-YL)METHYL 4-METHYLBENZENE-1-SULFONATE
| Molecular Formula | C26H32O6S2 |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 5.00084 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.16403 |
| Heavy Atoms | 34 |
| Complexity | 1152.0758 |
Chemical Identifiers
| CAS Number | 159459-84-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)CC(C4)(C3)COS(=O)(=O)C5=CC=C(C=C5)C |
Product Overview
1,3-adamantanedimethanol di-p-tosylate (CAS 159459-84-4), with molecular formula C26H32O6S2 and molecular weight 504.16 g/mol. IUPAC: [3-[(4-methylphenyl)sulfonyloxymethyl]-1-adamantyl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1,3-adamantanedimethanol di-p-tosylate
Property Insights of 1,3-adamantanedimethanol di-p-tosylate
The XLogP value of 5.00084 indicates that 1,3-adamantanedimethanol di-p-tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-adamantanedimethanol di-p-tosylate. Following Lipinski's Rule of Five, 1,3-adamantanedimethanol di-p-tosylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-adamantanedimethanol di-p-tosylate?
The CAS number of 1,3-adamantanedimethanol di-p-tosylate is 159459-84-4.
What is the molecular formula of 1,3-adamantanedimethanol di-p-tosylate?
The molecular formula of 1,3-adamantanedimethanol di-p-tosylate is C26H32O6S2.
What is the molecular weight of 1,3-adamantanedimethanol di-p-tosylate?
The molecular weight of 1,3-adamantanedimethanol di-p-tosylate is 504.16 g/mol.
Where can I buy 1,3-adamantanedimethanol di-p-tosylate?
You can request a quote for 1,3-adamantanedimethanol di-p-tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-adamantanedimethanol di-p-tosylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-adamantanedimethanol di-p-tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.