乙酸镨
TL;DR: 乙酸镨 (CAS 6192-12-7) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸镨
(E)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: KST-1A0205, BIM-0004484.P001, (2e)-n-[(2,5-dimethoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide, (E)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.2302 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 745.184 |
Chemical Identifiers
| CAS Number | 6192-12-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
乙酸镨 (CAS 6192-12-7), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: (E)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of 乙酸镨
Property Insights of 乙酸镨
The XLogP value of 3.2302 indicates that 乙酸镨 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, 乙酸镨 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸镨 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 乙酸镨?
The CAS number of 乙酸镨 is 6192-12-7.
What is the molecular formula of 乙酸镨?
The molecular formula of 乙酸镨 is C18H18N2O3S.
What is the molecular weight of 乙酸镨?
The molecular weight of 乙酸镨 is 342.10 g/mol.
Where can I buy 乙酸镨?
You can request a quote for 乙酸镨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸镨?
Yes, KEHONG BIO provides custom synthesis services for 乙酸镨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.