Palmitoylhomocysteine
TL;DR: Palmitoylhomocysteine (CAS 81068-96-4) is a chemical compound with molecular formula C20H39NO3S and molecular weight 373.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(hexadecanoylamino)-4-sulfanylbutanoic acid
Also Known As: Palmitoylhomocysteine, Palm-hcys, Palmitoyl-homocysteine, palmitoyl-L-homocysteine, N-Palmitoyl-L-homocysteine
| Molecular Formula | C20H39NO3S |
|---|---|
| Molecular Weight | 373.27 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 373.26508 |
| Heavy Atoms | 25 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 81068-96-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCS)C(=O)O |
| InChIKey | WPWJFABXGZAMQI-SFHVURJKSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Palmitoylhomocysteine (CAS 81068-96-4), with molecular formula C20H39NO3S and molecular weight 373.27 g/mol. IUPAC: (2S)-2-(hexadecanoylamino)-4-sulfanylbutanoic acid.
Chemical Property Profile of Palmitoylhomocysteine
Property Insights of Palmitoylhomocysteine
The XLogP value of 7.1 indicates that Palmitoylhomocysteine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Palmitoylhomocysteine. Following Lipinski's Rule of Five, Palmitoylhomocysteine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Palmitoylhomocysteine?
The CAS number of Palmitoylhomocysteine is 81068-96-4.
What is the molecular formula of Palmitoylhomocysteine?
The molecular formula of Palmitoylhomocysteine is C20H39NO3S.
What is the molecular weight of Palmitoylhomocysteine?
The molecular weight of Palmitoylhomocysteine is 373.27 g/mol.
Where can I buy Palmitoylhomocysteine?
You can request a quote for Palmitoylhomocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palmitoylhomocysteine?
Yes, KEHONG BIO provides custom synthesis services for Palmitoylhomocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.