EINECS 260-542-0
TL;DR: EINECS 260-542-0 (CAS 57071-02-0) is a chemical compound with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1,3-diethylbenzimidazol-2-ylidene)ethylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((1,3-Diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene)-1,3-diethyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione, 5-[2-(1,3-diethylbenzimidazol-2-ylidene)ethylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione, 1,3-Diethyl-5-[2-[(1,3-diethyl-2,3-dihydro-1H-benzimidazol)-2-ylidene]ethylidene]-2,3-dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione, 4,6(1H,5H)-Pyrimidinedione,5-[2-(1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene]-1,3-diethyldihydro-2-thioxo-
| Molecular Formula | C21H26N4O2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.17764 |
| Heavy Atoms | 28 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 57071-02-0 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N(C1=CC=C3C(=O)N(C(=S)N(C3=O)CC)CC)CC |
| InChIKey | ZPQXPCFUSWSISP-UHFFFAOYSA-N |
Product Overview
EINECS 260-542-0 (CAS 57071-02-0), with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol. IUPAC: 5-[2-(1,3-diethylbenzimidazol-2-ylidene)ethylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of EINECS 260-542-0
Property Insights of EINECS 260-542-0
The XLogP value of 3.8 indicates that EINECS 260-542-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 260-542-0. Following Lipinski's Rule of Five, EINECS 260-542-0 has 0 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 260-542-0?
The CAS number of EINECS 260-542-0 is 57071-02-0.
What is the molecular formula of EINECS 260-542-0?
The molecular formula of EINECS 260-542-0 is C21H26N4O2S.
What is the molecular weight of EINECS 260-542-0?
The molecular weight of EINECS 260-542-0 is 398.18 g/mol.
Where can I buy EINECS 260-542-0?
You can request a quote for EINECS 260-542-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-542-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-542-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.