![Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt structure](/static/products/5835/58353-68-7.webp)
Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt
TL;DR: Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt (CAS 58353-68-7) is a chemical compound with molecular formula C22H39NNa2O6S and molecular weight 491.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-(octadec-9-enylamino)-4-oxo-2-sulfonatobutanoate
Also Known As: EC 261-222-3, Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt, Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate, Disodium 4-[(octadec-9-en-1-yl)amino]-4-oxo-2-sulfonatobutanoate, Butanoic acid, 4-((9Z)-9-octadecenylamino)-4-oxosulfo-, disodium salt
| Molecular Formula | C22H39NNa2O6S |
|---|---|
| Molecular Weight | 491.23 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 491.22934 |
| Heavy Atoms | 32 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 58353-68-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PLHAFYWVSVUQCQ-UHFFFAOYSA-L |
Product Overview
Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt (CAS 58353-68-7), with molecular formula C22H39NNa2O6S and molecular weight 491.23 g/mol. IUPAC: disodium;4-(octadec-9-enylamino)-4-oxo-2-sulfonatobutanoate.
Chemical Property Profile of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt
Property Insights of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt
The XLogP value of -2.8 indicates that Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt. Following Lipinski's Rule of Five, Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt?
The CAS number of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt is 58353-68-7.
What is the molecular formula of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt?
The molecular formula of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt is C22H39NNa2O6S.
What is the molecular weight of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt?
The molecular weight of Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt is 491.23 g/mol.
Where can I buy Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt?
You can request a quote for Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt 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-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-[(9Z)-9-octadecenylamino]-4-oxosulfo-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.