3-Methyl-2-(octadec-9-enoylamino)butanoic acid
TL;DR: 3-Methyl-2-(octadec-9-enoylamino)butanoic acid (CAS 60374-41-6) is a chemical compound with molecular formula C23H43NO3 and molecular weight 381.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(octadec-9-enoylamino)butanoic acid
Also Known As: N-Oleoyl Valine, 3-methyl-2-(octadec-9-enoylamino)butanoic acid, N-[(9Z)-1-oxo-9-octadecen-1-yl]-L-valine
| Molecular Formula | C23H43NO3 |
|---|---|
| Molecular Weight | 381.32 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 381.32428 |
| Heavy Atoms | 27 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 60374-41-6 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NC(C(C)C)C(=O)O |
| InChIKey | LRQPUGFHAACUMH-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-(octadec-9-enoylamino)butanoic acid (CAS 60374-41-6), with molecular formula C23H43NO3 and molecular weight 381.32 g/mol. IUPAC: 3-methyl-2-(octadec-9-enoylamino)butanoic acid.
Chemical Property Profile of 3-Methyl-2-(octadec-9-enoylamino)butanoic acid
Property Insights of 3-Methyl-2-(octadec-9-enoylamino)butanoic acid
The XLogP value of 8.0 indicates that 3-Methyl-2-(octadec-9-enoylamino)butanoic 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-Methyl-2-(octadec-9-enoylamino)butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-(octadec-9-enoylamino)butanoic 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-Methyl-2-(octadec-9-enoylamino)butanoic acid?
The CAS number of 3-Methyl-2-(octadec-9-enoylamino)butanoic acid is 60374-41-6.
What is the molecular formula of 3-Methyl-2-(octadec-9-enoylamino)butanoic acid?
The molecular formula of 3-Methyl-2-(octadec-9-enoylamino)butanoic acid is C23H43NO3.
What is the molecular weight of 3-Methyl-2-(octadec-9-enoylamino)butanoic acid?
The molecular weight of 3-Methyl-2-(octadec-9-enoylamino)butanoic acid is 381.32 g/mol.
Where can I buy 3-Methyl-2-(octadec-9-enoylamino)butanoic acid?
You can request a quote for 3-Methyl-2-(octadec-9-enoylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(octadec-9-enoylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(octadec-9-enoylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.