![4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid structure](/static/products/4530/45309-96-4.webp)
4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid
TL;DR: 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid (CAS 45309-96-4) is a chemical compound with molecular formula C25H45NO8S and molecular weight 519.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid
Also Known As: 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid, 4-{[1-(Octadec-9-enamido)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid
| Molecular Formula | C25H45NO8S |
|---|---|
| Molecular Weight | 519.29 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Exact Mass | 519.28656 |
| Heavy Atoms | 35 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 45309-96-4 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)O)S(=O)(=O)O |
| InChIKey | GDWGSSJJHUBFBD-UHFFFAOYSA-N |
Product Overview
4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid (CAS 45309-96-4), with molecular formula C25H45NO8S and molecular weight 519.29 g/mol. IUPAC: 4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfobutanoic acid.
Chemical Property Profile of 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid
Property Insights of 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid
The XLogP value of 5.8 indicates that 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid has 3 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 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid?
The CAS number of 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid is 45309-96-4.
What is the molecular formula of 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid?
The molecular formula of 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid is C25H45NO8S.
What is the molecular weight of 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid?
The molecular weight of 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid is 519.29 g/mol.
Where can I buy 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid?
You can request a quote for 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[1-(Octadec-9-enoylamino)propan-2-yl]oxy}-4-oxo-3-sulfobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.