2-(十六烷基磺酰基)-3-甲基丁酸
TL;DR: 2-(十六烷基磺酰基)-3-甲基丁酸 (CAS 125252-53-1) is a chemical compound with molecular formula C21H42O4S and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(十六烷基磺酰基)-3-甲基丁酸
2-hexadecylsulfonyl-3-methylbutanoic acid
Also Known As: 2-(Hexadecylsulfonyl)-3-methylbutanoic acid, Butanoic acid, 2-(hexadecylsulfonyl)-3-methyl-, 2-hexadecylsulfonyl-3-methylbutanoic acid, J1.563.142B, 2-(HEXADECANE-1-SULFONYL)-3-METHYLBUTANOIC ACID
| Molecular Formula | C21H42O4S |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 390.2804 |
| Heavy Atoms | 26 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 125252-53-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)O |
| InChIKey | DAMJMHIAJAAGHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(十六烷基磺酰基)-3-甲基丁酸 (CAS 125252-53-1), with molecular formula C21H42O4S and molecular weight 390.28 g/mol. IUPAC: 2-hexadecylsulfonyl-3-methylbutanoic acid.
Chemical Property Profile of 2-(十六烷基磺酰基)-3-甲基丁酸
Property Insights of 2-(十六烷基磺酰基)-3-甲基丁酸
The XLogP value of 8.3 indicates that 2-(十六烷基磺酰基)-3-甲基丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(十六烷基磺酰基)-3-甲基丁酸. Following Lipinski's Rule of Five, 2-(十六烷基磺酰基)-3-甲基丁酸 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(十六烷基磺酰基)-3-甲基丁酸?
The CAS number of 2-(十六烷基磺酰基)-3-甲基丁酸 is 125252-53-1.
What is the molecular formula of 2-(十六烷基磺酰基)-3-甲基丁酸?
The molecular formula of 2-(十六烷基磺酰基)-3-甲基丁酸 is C21H42O4S.
What is the molecular weight of 2-(十六烷基磺酰基)-3-甲基丁酸?
The molecular weight of 2-(十六烷基磺酰基)-3-甲基丁酸 is 390.28 g/mol.
Where can I buy 2-(十六烷基磺酰基)-3-甲基丁酸?
You can request a quote for 2-(十六烷基磺酰基)-3-甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(十六烷基磺酰基)-3-甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(十六烷基磺酰基)-3-甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.