Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-
TL;DR: Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- (CAS 29169-69-5) is a chemical compound with molecular formula C20H39NNaO4S+ and molecular weight 412.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid
Also Known As: Sodium N-oleyltaurate, Sodium N-oleyl taurine, Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-, Taurine, N-9-octadecenyl-, sodium salt, (Z)-, sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid
| Molecular Formula | C20H39NNaO4S+ |
|---|---|
| Molecular Weight | 412.25 g/mol |
| LogP | 2.0319 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 412.24976 |
| Heavy Atoms | 27 |
| Complexity | 466.60217 |
Chemical Identifiers
| CAS Number | 29169-69-5 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)NCCS(=O)(=O)O.[Na+] |
Product Overview
Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- (CAS 29169-69-5), with molecular formula C20H39NNaO4S+ and molecular weight 412.25 g/mol. IUPAC: sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid.
Chemical Property Profile of Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-
Property Insights of Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-
The XLogP value of 2.0319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-. Following Lipinski's Rule of Five, Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- has 2 hydrogen bond donor(s) and 3 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 Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-?
The CAS number of Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- is 29169-69-5.
What is the molecular formula of Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-?
The molecular formula of Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- is C20H39NNaO4S+.
What is the molecular weight of Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-?
The molecular weight of Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- is 412.25 g/mol.
Where can I buy Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-?
You can request a quote for Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanesulfonic acid, 2-(9-octadecenylamino)-, monosodium salt, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.