三乙酸铁
TL;DR: 三乙酸铁 (CAS 1834-30-6) is a chemical compound with molecular formula C18H17NOS3 and molecular weight 359.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三乙酸铁
N-(4-ethoxyphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imine
Also Known As: Maybridge1_001875, KST-1A2199, (4-Ethoxyphenyl)((3Z)-5-(methylthio)-4-phenyl-3H-1,2-dithiol-3-ylidene)amine, N-(4-ethoxyphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imine, N-(4-ethoxyphenyl)-5-methylsulfanyl-4-phenyl-dithiol-3-imine
| Molecular Formula | C18H17NOS3 |
|---|---|
| Molecular Weight | 359.05 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.04724 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 1834-30-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C2C(=C(SS2)SC)C3=CC=CC=C3 |
| InChIKey | PQSSRCHUVUXKLB-UHFFFAOYSA-N |
Product Overview
三乙酸铁 (CAS 1834-30-6), with molecular formula C18H17NOS3 and molecular weight 359.05 g/mol. IUPAC: N-(4-ethoxyphenyl)-5-methylsulfanyl-4-phenyldithiol-3-imine.
Chemical Property Profile of 三乙酸铁
Property Insights of 三乙酸铁
The XLogP value of 5.1 indicates that 三乙酸铁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 三乙酸铁. Following Lipinski's Rule of Five, 三乙酸铁 has 0 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 三乙酸铁?
The CAS number of 三乙酸铁 is 1834-30-6.
What is the molecular formula of 三乙酸铁?
The molecular formula of 三乙酸铁 is C18H17NOS3.
What is the molecular weight of 三乙酸铁?
The molecular weight of 三乙酸铁 is 359.05 g/mol.
Where can I buy 三乙酸铁?
You can request a quote for 三乙酸铁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三乙酸铁?
Yes, KEHONG BIO provides custom synthesis services for 三乙酸铁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.