Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)
TL;DR: Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) (CAS 68128-59-6) is a chemical compound with molecular formula C22H49N3O6S and molecular weight 483.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;4-(octadecylamino)-4-oxo-2-sulfobutanoic acid
Also Known As: Diammonium N-stearyl sulfosuccinamate, N-Octadecylsulfosuccinamic acid, diammonium salt, 4-(octadecylamino)-4-oxo-2-sulfobutanoic acid diammoniate, azane; 4-(octadecylamino)-4-oxo-2-sulfobutanoic acid, Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)
| Molecular Formula | C22H49N3O6S |
|---|---|
| Molecular Weight | 483.33 g/mol |
| LogP | 5.42 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 483.3342 |
| Heavy Atoms | 32 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 68128-59-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O.N.N |
| InChIKey | AZABEHRCEKKHKP-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) (CAS 68128-59-6), with molecular formula C22H49N3O6S and molecular weight 483.33 g/mol. IUPAC: azane;4-(octadecylamino)-4-oxo-2-sulfobutanoic acid.
Chemical Property Profile of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)
Property Insights of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)
The XLogP value of 5.42 indicates that Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2). Following Lipinski's Rule of Five, Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)?
The CAS number of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) is 68128-59-6.
What is the molecular formula of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)?
The molecular formula of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) is C22H49N3O6S.
What is the molecular weight of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)?
The molecular weight of Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) is 483.33 g/mol.
Where can I buy Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)?
You can request a quote for Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(octadecylamino)-4-oxosulfo-, ammonium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.