Methyl 1-adamantanesulfonate
TL;DR: Methyl 1-adamantanesulfonate (CAS 25236-60-6) is a chemical compound with molecular formula C11H18O3S and molecular weight 230.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl adamantane-1-sulfonate
Also Known As: Methyl 1-adamantanesulfonate, methyl adamantane-1-sulfonate, 1-methoxysulfonyladamantane, METHYL1-ADAMANTANESULFONATE, Methyl 1-adamantanesulfonate, 97%
| Molecular Formula | C11H18O3S |
|---|---|
| Molecular Weight | 230.10 g/mol |
| LogP | 1.9314 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.09767 |
| Heavy Atoms | 15 |
| Complexity | 336.01007 |
Chemical Identifiers
| CAS Number | 25236-60-6 |
|---|---|
| SMILES | COS(=O)(=O)C12CC3CC(C1)CC(C3)C2 |
Product Overview
Methyl 1-adamantanesulfonate (CAS 25236-60-6), with molecular formula C11H18O3S and molecular weight 230.10 g/mol. IUPAC: methyl adamantane-1-sulfonate.
Chemical Property Profile of Methyl 1-adamantanesulfonate
Property Insights of Methyl 1-adamantanesulfonate
The XLogP value of 1.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-adamantanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 1-adamantanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-adamantanesulfonate 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 Methyl 1-adamantanesulfonate?
The CAS number of Methyl 1-adamantanesulfonate is 25236-60-6.
What is the molecular formula of Methyl 1-adamantanesulfonate?
The molecular formula of Methyl 1-adamantanesulfonate is C11H18O3S.
What is the molecular weight of Methyl 1-adamantanesulfonate?
The molecular weight of Methyl 1-adamantanesulfonate is 230.10 g/mol.
Where can I buy Methyl 1-adamantanesulfonate?
You can request a quote for Methyl 1-adamantanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-adamantanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-adamantanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.