3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate
TL;DR: 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate (CAS 4301-57-9) is a chemical compound with molecular formula C23H48O7S2 and molecular weight 500.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfonyloxy-3-octadecoxypropyl) methanesulfonate
Also Known As: magnesium,ethyne,bromide, 3-(octadecyloxy)propane-1,2-diyl dimethanesulfonate, (2-methylsulfonyloxy-3-octadecoxypropyl) methanesulfonate
| Molecular Formula | C23H48O7S2 |
|---|---|
| Molecular Weight | 500.28 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Exact Mass | 500.28415 |
| Heavy Atoms | 32 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 4301-57-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C)OS(=O)(=O)C |
| InChIKey | FNGBKRNFGMMYCY-UHFFFAOYSA-N |
Product Overview
3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate (CAS 4301-57-9), with molecular formula C23H48O7S2 and molecular weight 500.28 g/mol. IUPAC: (2-methylsulfonyloxy-3-octadecoxypropyl) methanesulfonate.
Chemical Property Profile of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate
Property Insights of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate
The XLogP value of 7.8 indicates that 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate. Following Lipinski's Rule of Five, 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate?
The CAS number of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate is 4301-57-9.
What is the molecular formula of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate?
The molecular formula of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate is C23H48O7S2.
What is the molecular weight of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate?
The molecular weight of 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate is 500.28 g/mol.
Where can I buy 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate?
You can request a quote for 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Octadecyloxy)propane-1,2-diyl dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.