Octadecanoic acid;phenacyl carbamimidothioate
TL;DR: Octadecanoic acid;phenacyl carbamimidothioate (CAS 65509-66-2) is a chemical compound with molecular formula C27H46N2O3S and molecular weight 478.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecanoic acid;phenacyl carbamimidothioate
Also Known As: Octadecanoic acid;phenacyl carbamimidothioate, octadecanoic acid; phenacyl carbamimidothioate, 2-oxo-2-phenylethyl carbamimidothioate stearate, octadecanoic acid- 2-oxo-2-phenylethyl carbamimidothioate(1:1), Octadecanoic acid--2-oxo-2-phenylethyl carbamimidothioate (1/1)
| Molecular Formula | C27H46N2O3S |
|---|---|
| Molecular Weight | 478.32 g/mol |
| LogP | 7.82847 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 478.3229 |
| Heavy Atoms | 33 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 65509-66-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.C1=CC=C(C=C1)C(=O)CSC(=N)N |
| InChIKey | BIFQUYOFAPHQTO-UHFFFAOYSA-N |
Product Overview
Octadecanoic acid;phenacyl carbamimidothioate (CAS 65509-66-2), with molecular formula C27H46N2O3S and molecular weight 478.32 g/mol. IUPAC: octadecanoic acid;phenacyl carbamimidothioate.
Chemical Property Profile of Octadecanoic acid;phenacyl carbamimidothioate
Property Insights of Octadecanoic acid;phenacyl carbamimidothioate
The XLogP value of 7.82847 indicates that Octadecanoic acid;phenacyl carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid;phenacyl carbamimidothioate. Following Lipinski's Rule of Five, Octadecanoic acid;phenacyl carbamimidothioate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanoic acid;phenacyl carbamimidothioate?
The CAS number of Octadecanoic acid;phenacyl carbamimidothioate is 65509-66-2.
What is the molecular formula of Octadecanoic acid;phenacyl carbamimidothioate?
The molecular formula of Octadecanoic acid;phenacyl carbamimidothioate is C27H46N2O3S.
What is the molecular weight of Octadecanoic acid;phenacyl carbamimidothioate?
The molecular weight of Octadecanoic acid;phenacyl carbamimidothioate is 478.32 g/mol.
Where can I buy Octadecanoic acid;phenacyl carbamimidothioate?
You can request a quote for Octadecanoic acid;phenacyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid;phenacyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid;phenacyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.