3-Ahbstp chloride
TL;DR: 3-Ahbstp chloride (CAS 4939-06-4) is a chemical compound with molecular formula C28H58ClNO5S and molecular weight 555.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-Ahbstp chloride
3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium chloride
Also Known As: 3-Ahbstp chloride, 3-((3-(Acetyloxy)-4-(hexadecyloxy)butyl)sulfonyl)-N,N,N-trimethyl-1-propanaminium, 3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium;chloride, 3-{[3-(acetyloxy)-4-(hexadecyloxy)butyl]sulfonyl}-n,n,n-trimethylpropan-1-aminium chloride, 3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium chloride
| Molecular Formula | C28H58ClNO5S |
|---|---|
| Molecular Weight | 555.37 g/mol |
| LogP | 3.3212 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 555.37244 |
| Heavy Atoms | 36 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 4939-06-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)CCC[N+](C)(C)C)OC(=O)C.[Cl-] |
| InChIKey | FUEODCSUYXPQNW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ahbstp chloride (CAS 4939-06-4), with molecular formula C28H58ClNO5S and molecular weight 555.37 g/mol. IUPAC: 3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium chloride.
Chemical Property Profile of 3-Ahbstp chloride
Property Insights of 3-Ahbstp chloride
The XLogP value of 3.3212 indicates that 3-Ahbstp chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ahbstp chloride. Following Lipinski's Rule of Five, 3-Ahbstp chloride has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ahbstp chloride?
The CAS number of 3-Ahbstp chloride is 4939-06-4.
What is the molecular formula of 3-Ahbstp chloride?
The molecular formula of 3-Ahbstp chloride is C28H58ClNO5S.
What is the molecular weight of 3-Ahbstp chloride?
The molecular weight of 3-Ahbstp chloride is 555.37 g/mol.
Where can I buy 3-Ahbstp chloride?
You can request a quote for 3-Ahbstp chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ahbstp chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Ahbstp chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.