RefChem:118744
TL;DR: RefChem:118744 (CAS 63148-76-5) is a chemical compound with molecular formula C30H30N2O5S and molecular weight 530.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: Benzoxazolium, 3-ethyl-5-phenyl-2-(2-((3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-, inner salt, Benzoxazolium, 3-ethyl-5-phenyl-2-(2-((3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-, inner salt, Benzoxazolium, 3-ethyl-5-phenyl-2-(2-((3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-, hydroxide, inner salt, Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-, inner salt, 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
| Molecular Formula | C30H30N2O5S |
|---|---|
| Molecular Weight | 530.19 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.18756 |
| Heavy Atoms | 38 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 63148-76-5 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC |
| InChIKey | WGAUVXDSQMVYSD-UHFFFAOYSA-N |
Product Overview
RefChem:118744 (CAS 63148-76-5), with molecular formula C30H30N2O5S and molecular weight 530.19 g/mol. IUPAC: 3-[2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:118744
Property Insights of RefChem:118744
The XLogP value of 6.6 indicates that RefChem:118744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118744. Following Lipinski's Rule of Five, RefChem:118744 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:118744?
The CAS number of RefChem:118744 is 63148-76-5.
What is the molecular formula of RefChem:118744?
The molecular formula of RefChem:118744 is C30H30N2O5S.
What is the molecular weight of RefChem:118744?
The molecular weight of RefChem:118744 is 530.19 g/mol.
Where can I buy RefChem:118744?
You can request a quote for RefChem:118744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118744?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.