RefChem:118708
TL;DR: RefChem:118708 (CAS 68072-54-8) is a chemical compound with molecular formula C26H28Cl2N4O4S and molecular weight 562.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]-N-methylsulfonylethanimidate
Also Known As: EINECS 268-348-8, Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, inner salt, 1-Ethyl-2-(3-(3-ethyl-5,6-dimethylbenzoxazolinylidene)-2-propenyl)-3-((N-(methylsulfonylcarbamyl)methyl)-5,6-dichlorobenzimidazolium betaine, Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-5,6-dimethyl-, inner salt, Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5,6-dimethyl-, inner salt
| Molecular Formula | C26H28Cl2N4O4S |
|---|---|
| Molecular Weight | 562.12 g/mol |
| LogP | 4.58334 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 562.12085 |
| Heavy Atoms | 37 |
| Complexity | 1575.1171 |
Chemical Identifiers
| CAS Number | 68072-54-8 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(O3)C=C(C(=C4)C)C)CC)CC(=NS(=O)(=O)C)[O-])Cl)Cl |
Product Overview
RefChem:118708 (CAS 68072-54-8), with molecular formula C26H28Cl2N4O4S and molecular weight 562.12 g/mol. IUPAC: 2-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]-N-methylsulfonylethanimidate.
Chemical Property Profile of RefChem:118708
Property Insights of RefChem:118708
The XLogP value of 4.58334 indicates that RefChem:118708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118708. Following Lipinski's Rule of Five, RefChem:118708 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118708?
The CAS number of RefChem:118708 is 68072-54-8.
What is the molecular formula of RefChem:118708?
The molecular formula of RefChem:118708 is C26H28Cl2N4O4S.
What is the molecular weight of RefChem:118708?
The molecular weight of RefChem:118708 is 562.12 g/mol.
Where can I buy RefChem:118708?
You can request a quote for RefChem:118708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.