Einecs 248-738-4
TL;DR: Einecs 248-738-4 (CAS 27934-38-9) is a chemical compound with molecular formula C18H16N6S3 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-4-phenyl-5-[[(Z)-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)methyl]sulfanylmethylidene]-1,2,4-triazolidine-3-thione
Also Known As: EINECS 248-738-4, 5,5'-(Thiodimethylene)bis(4-phenyl-4H-1,2,4-triazole-2-thiol), (5E)-4-phenyl-5-[[(Z)-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)methyl]sulfanylmethylidene]-1,2,4-triazolidine-3-thione
| Molecular Formula | C18H16N6S3 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 3.116 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.05984 |
| Heavy Atoms | 27 |
| Complexity | 837.7089 |
Chemical Identifiers
| CAS Number | 27934-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2/C(=C/S/C=C\3/NNC(=S)N3C4=CC=CC=C4)/NNC2=S |
Product Overview
Einecs 248-738-4 (CAS 27934-38-9), with molecular formula C18H16N6S3 and molecular weight 412.06 g/mol. IUPAC: (5E)-4-phenyl-5-[[(Z)-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)methyl]sulfanylmethylidene]-1,2,4-triazolidine-3-thione.
Chemical Property Profile of Einecs 248-738-4
Property Insights of Einecs 248-738-4
The XLogP value of 3.116 indicates that Einecs 248-738-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Einecs 248-738-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 248-738-4 has 4 hydrogen bond donor(s) and 5 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 Einecs 248-738-4?
The CAS number of Einecs 248-738-4 is 27934-38-9.
What is the molecular formula of Einecs 248-738-4?
The molecular formula of Einecs 248-738-4 is C18H16N6S3.
What is the molecular weight of Einecs 248-738-4?
The molecular weight of Einecs 248-738-4 is 412.06 g/mol.
Where can I buy Einecs 248-738-4?
You can request a quote for Einecs 248-738-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 248-738-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 248-738-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.