Pentadecyl 4-methylbenzene-1-sulfonate
TL;DR: Pentadecyl 4-methylbenzene-1-sulfonate (CAS 39794-74-6) is a chemical compound with molecular formula C22H38O3S and molecular weight 382.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentadecyl 4-methylbenzenesulfonate
Also Known As: pentadecyl 4-methylbenzene-1-sulfonate, pentadecyl 4-methylbenzenesulfonate, 1-(4-methylphenyl)sulfonyloxypentadecane, 1-Pentadecanol, 4-methylbenzenesulfonate
| Molecular Formula | C22H38O3S |
|---|---|
| Molecular Weight | 382.25 g/mol |
| LogP | 6.79152 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 382.25418 |
| Heavy Atoms | 26 |
| Complexity | 549.255 |
Chemical Identifiers
| CAS Number | 39794-74-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
Pentadecyl 4-methylbenzene-1-sulfonate (CAS 39794-74-6), with molecular formula C22H38O3S and molecular weight 382.25 g/mol. IUPAC: pentadecyl 4-methylbenzenesulfonate.
Chemical Property Profile of Pentadecyl 4-methylbenzene-1-sulfonate
Property Insights of Pentadecyl 4-methylbenzene-1-sulfonate
The XLogP value of 6.79152 indicates that Pentadecyl 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, Pentadecyl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentadecyl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentadecyl 4-methylbenzene-1-sulfonate?
The CAS number of Pentadecyl 4-methylbenzene-1-sulfonate is 39794-74-6.
What is the molecular formula of Pentadecyl 4-methylbenzene-1-sulfonate?
The molecular formula of Pentadecyl 4-methylbenzene-1-sulfonate is C22H38O3S.
What is the molecular weight of Pentadecyl 4-methylbenzene-1-sulfonate?
The molecular weight of Pentadecyl 4-methylbenzene-1-sulfonate is 382.25 g/mol.
Where can I buy Pentadecyl 4-methylbenzene-1-sulfonate?
You can request a quote for Pentadecyl 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 Pentadecyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentadecyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.