RefChem:164562
TL;DR: RefChem:164562 (CAS 65087-24-3) is a chemical compound with molecular formula C29H25BrN2O2 and molecular weight 512.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)prop-2-enylidene]benzo[g][1,3]benzoxazole bromide
Also Known As: 3,3'-Diethyl-alpha-naphthoxacarbocyanine bromide, Naphth[2,1-d]oxazolium, 3-ethyl-2-[3-(3-ethylnaphth[2,1-d]oxazol-2(3H)-ylidene)-1-propen-1-yl]-, bromide (1:1), 3-Ethyl-2-[3-(3-ethylnaphtho[2,1-d][1,3]oxazol-2(3H)-ylidene)prop-1-en-1-yl]naphtho[2,1-d][1,3]oxazol-3-ium bromide, Naphth(2,1-d)oxazolium, 3-ethyl-2-(3-(3-ethylnaphth(2,1-d)oxazol-2(3H)-ylidene)-1-propen-1-yl)-, bromide (1:1), Naphth(2,1-d)oxazolium, 3-ethyl-2-(3-(3-ethylnaphth(2,1-d)oxazol-2(3H)-ylidene)-1-propenyl)-, bromide
| Molecular Formula | C29H25BrN2O2 |
|---|---|
| Molecular Weight | 512.11 g/mol |
| LogP | 3.82 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.1099 |
| Heavy Atoms | 34 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 65087-24-3 |
|---|---|
| SMILES | CCN1C2=C(C3=CC=CC=C3C=C2)OC1=CC=CC4=[N+](C5=C(O4)C6=CC=CC=C6C=C5)CC.[Br-] |
| InChIKey | WHFFFZUPYRCGQA-UHFFFAOYSA-M |
Product Overview
RefChem:164562 (CAS 65087-24-3), with molecular formula C29H25BrN2O2 and molecular weight 512.11 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)prop-2-enylidene]benzo[g][1,3]benzoxazole bromide.
Chemical Property Profile of RefChem:164562
Property Insights of RefChem:164562
The XLogP value of 3.82 indicates that RefChem:164562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:164562 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:164562 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:164562?
The CAS number of RefChem:164562 is 65087-24-3.
What is the molecular formula of RefChem:164562?
The molecular formula of RefChem:164562 is C29H25BrN2O2.
What is the molecular weight of RefChem:164562?
The molecular weight of RefChem:164562 is 512.11 g/mol.
Where can I buy RefChem:164562?
You can request a quote for RefChem:164562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164562?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.