N-棕榈酰半胱氨酸α-甲酯
TL;DR: N-棕榈酰半胱氨酸α-甲酯 (CAS 96684-80-9) 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.
N-棕榈酰半胱氨酸α-甲酯
methyl (2R)-2-(hexadecanoylamino)-3-sulfanylpropanoate
Also Known As: N-Palmitoylcysteine alpha-methyl ester, methyl n-hexadecanoyl-l-cysteinate, N-Palmitoyl-cysteine alpha-methyl ester, L-Cysteine, N-(1-oxohexadecyl)-, methyl ester, methyl (2R)-2-(hexadecanoylamino)-3-sulfanylpropanoate
| Molecular Formula | C20H39NO3S |
|---|---|
| Molecular Weight | 373.27 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 373.26508 |
| Heavy Atoms | 25 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 96684-80-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@@H](CS)C(=O)OC |
| InChIKey | PHMWAIYVRSEJEU-SFHVURJKSA-N |
Product Overview
N-棕榈酰半胱氨酸α-甲酯 (CAS 96684-80-9), with molecular formula C20H39NO3S and molecular weight 373.27 g/mol. IUPAC: methyl (2R)-2-(hexadecanoylamino)-3-sulfanylpropanoate.
Chemical Property Profile of N-棕榈酰半胱氨酸α-甲酯
Property Insights of N-棕榈酰半胱氨酸α-甲酯
The XLogP value of 7.1 indicates that N-棕榈酰半胱氨酸α-甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, N-棕榈酰半胱氨酸α-甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-棕榈酰半胱氨酸α-甲酯 has 2 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 N-棕榈酰半胱氨酸α-甲酯?
The CAS number of N-棕榈酰半胱氨酸α-甲酯 is 96684-80-9.
What is the molecular formula of N-棕榈酰半胱氨酸α-甲酯?
The molecular formula of N-棕榈酰半胱氨酸α-甲酯 is C20H39NO3S.
What is the molecular weight of N-棕榈酰半胱氨酸α-甲酯?
The molecular weight of N-棕榈酰半胱氨酸α-甲酯 is 373.27 g/mol.
Where can I buy N-棕榈酰半胱氨酸α-甲酯?
You can request a quote for N-棕榈酰半胱氨酸α-甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-棕榈酰半胱氨酸α-甲酯?
Yes, KEHONG BIO provides custom synthesis services for N-棕榈酰半胱氨酸α-甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.