3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid
TL;DR: 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid (CAS 40379-70-2) is a chemical compound with molecular formula C28H47NO3S and molecular weight 477.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-2-(octadecanoylamino)propanoic acid
Also Known As: S-Benzyl-N-Stearoyl-L-cysteine, 3-benzylsulfanyl-2-(octadecanoylamino)propanoic Acid
| Molecular Formula | C28H47NO3S |
|---|---|
| Molecular Weight | 477.33 g/mol |
| LogP | 7.7507 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 477.32767 |
| Heavy Atoms | 33 |
| Complexity | 608.41986 |
Chemical Identifiers
| CAS Number | 40379-70-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)O |
Product Overview
3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid (CAS 40379-70-2), with molecular formula C28H47NO3S and molecular weight 477.33 g/mol. IUPAC: 3-benzylsulfanyl-2-(octadecanoylamino)propanoic acid.
Chemical Property Profile of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid
Property Insights of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid
The XLogP value of 7.7507 indicates that 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid. Following Lipinski's Rule of Five, 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid?
The CAS number of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid is 40379-70-2.
What is the molecular formula of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid?
The molecular formula of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid is C28H47NO3S.
What is the molecular weight of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid?
The molecular weight of 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid is 477.33 g/mol.
Where can I buy 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid?
You can request a quote for 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanyl-2-(octadecanoylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.