RefChem:299352
TL;DR: RefChem:299352 (CAS 13242-16-5) is a chemical compound with molecular formula C31H33N3O2S and molecular weight 511.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 1-Oxa-4,7,10-triazacyclododecane,4,7,10-trimethyl, (5Z)-5-[(2E)-2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one, 4-Imidazolidinone, 5-[(3-ethylnaphth[2,1-d]oxazol-2(3H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxo-, 5-[(3-ethylnaphth[2,1-d]oxazol-2(3H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one, 5-[2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C31H33N3O2S |
|---|---|
| Molecular Weight | 511.23 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.22934 |
| Heavy Atoms | 37 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 13242-16-5 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C(=CC=C2N(C3=C(O2)C4=CC=CC=C4C=C3)CC)N(C1=S)C5=CC=CC=C5 |
| InChIKey | OZCLZZYQFDQMOF-UHFFFAOYSA-N |
Product Overview
RefChem:299352 (CAS 13242-16-5), with molecular formula C31H33N3O2S and molecular weight 511.23 g/mol. IUPAC: 5-[2-(3-ethylbenzo[g][1,3]benzoxazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of RefChem:299352
Property Insights of RefChem:299352
The XLogP value of 8.4 indicates that RefChem:299352 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:299352. Following Lipinski's Rule of Five, RefChem:299352 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:299352?
The CAS number of RefChem:299352 is 13242-16-5.
What is the molecular formula of RefChem:299352?
The molecular formula of RefChem:299352 is C31H33N3O2S.
What is the molecular weight of RefChem:299352?
The molecular weight of RefChem:299352 is 511.23 g/mol.
Where can I buy RefChem:299352?
You can request a quote for RefChem:299352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299352?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.