Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate
TL;DR: Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate (CAS 70904-60-8) 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-[[(Z)-octadec-9-enyl]amino]-4-oxo-2-sulfonatobutanoate
Also Known As: EINECS 275-014-5, EINECS 261-222-3, EC 261-222-3, Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate, Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2(or 3)-sulphonatobutyrate
| Molecular Formula | C22H39NNa2O6S |
|---|---|
| Molecular Weight | 491.23 g/mol |
| LogP | -2.7981 |
| Topological Polar Surface Area | 126.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 491.22934 |
| Heavy Atoms | 32 |
| Complexity | 599.22845 |
Chemical Identifiers
| CAS Number | 70904-60-8 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate (CAS 70904-60-8), with molecular formula C22H39NNa2O6S and molecular weight 491.23 g/mol. IUPAC: disodium;4-[[(Z)-octadec-9-enyl]amino]-4-oxo-2-sulfonatobutanoate.
Chemical Property Profile of Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate
Property Insights of Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate
The XLogP value of -2.7981 indicates that Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate. Following Lipinski's Rule of Five, Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate 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 Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate?
The CAS number of Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate is 70904-60-8.
What is the molecular formula of Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate?
The molecular formula of Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate is C22H39NNa2O6S.
What is the molecular weight of Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate?
The molecular weight of Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate is 491.23 g/mol.
Where can I buy Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate?
You can request a quote for Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.