4-(十八烷氧基)-4-氧代-2-磺基丁酸
TL;DR: 4-(十八烷氧基)-4-氧代-2-磺基丁酸 (CAS 94021-01-9) is a chemical compound with molecular formula C22H42O7S and molecular weight 450.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(十八烷氧基)-4-氧代-2-磺基丁酸
4-octadecoxy-4-oxo-2-sulfobutanoic acid
Also Known As: 4-(octadecyloxy)-4-oxo-2-sulfobutanoic acid, 4-octadecoxy-4-oxo-2-sulfobutanoic acid, 4-octadecoxy-4-oxo-2-sulfo-butanoic Acid
| Molecular Formula | C22H42O7S |
|---|---|
| Molecular Weight | 450.27 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 450.26514 |
| Heavy Atoms | 30 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 94021-01-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O |
| InChIKey | HEIDDYGTHXZQGM-UHFFFAOYSA-N |
Product Overview
4-(十八烷氧基)-4-氧代-2-磺基丁酸 (CAS 94021-01-9), with molecular formula C22H42O7S and molecular weight 450.27 g/mol. IUPAC: 4-octadecoxy-4-oxo-2-sulfobutanoic acid.
Chemical Property Profile of 4-(十八烷氧基)-4-氧代-2-磺基丁酸
Property Insights of 4-(十八烷氧基)-4-氧代-2-磺基丁酸
The XLogP value of 7.4 indicates that 4-(十八烷氧基)-4-氧代-2-磺基丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(十八烷氧基)-4-氧代-2-磺基丁酸. Following Lipinski's Rule of Five, 4-(十八烷氧基)-4-氧代-2-磺基丁酸 has 2 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 4-(十八烷氧基)-4-氧代-2-磺基丁酸?
The CAS number of 4-(十八烷氧基)-4-氧代-2-磺基丁酸 is 94021-01-9.
What is the molecular formula of 4-(十八烷氧基)-4-氧代-2-磺基丁酸?
The molecular formula of 4-(十八烷氧基)-4-氧代-2-磺基丁酸 is C22H42O7S.
What is the molecular weight of 4-(十八烷氧基)-4-氧代-2-磺基丁酸?
The molecular weight of 4-(十八烷氧基)-4-氧代-2-磺基丁酸 is 450.27 g/mol.
Where can I buy 4-(十八烷氧基)-4-氧代-2-磺基丁酸?
You can request a quote for 4-(十八烷氧基)-4-氧代-2-磺基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(十八烷氧基)-4-氧代-2-磺基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(十八烷氧基)-4-氧代-2-磺基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.