RefChem:118713
TL;DR: RefChem:118713 (CAS 24136-83-2) is a chemical compound with molecular formula C23H23IN2O2 and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide iodide
Also Known As: 2-(6-Acetanilido-1,3,5-hexatrienyl)-3-ethylbenzoxazolium iodide, Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide, Benzoxazolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrien-1-yl)-3-ethyl-, iodide (1:1), Benzoxazolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrienyl)-3-ethyl-, iodide, Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrien-1-yl]-3-ethyl-, iodide (1:1)
| Molecular Formula | C23H23IN2O2 |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 1.88 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.08044 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 24136-83-2 |
|---|---|
| SMILES | CC[N+]1=C(OC2=CC=CC=C21)C=CC=CC=CN(C3=CC=CC=C3)C(=O)C.[I-] |
| InChIKey | FHBDIRWBXNKVRI-UHFFFAOYSA-M |
Product Overview
RefChem:118713 (CAS 24136-83-2), with molecular formula C23H23IN2O2 and molecular weight 486.08 g/mol. IUPAC: N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide iodide.
Chemical Property Profile of RefChem:118713
Property Insights of RefChem:118713
The XLogP value of 1.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118713. With a topological polar surface area (TPSA) of 37.3 Ų, RefChem:118713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118713 has 0 hydrogen bond donor(s) and 3 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 RefChem:118713?
The CAS number of RefChem:118713 is 24136-83-2.
What is the molecular formula of RefChem:118713?
The molecular formula of RefChem:118713 is C23H23IN2O2.
What is the molecular weight of RefChem:118713?
The molecular weight of RefChem:118713 is 486.08 g/mol.
Where can I buy RefChem:118713?
You can request a quote for RefChem:118713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118713?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.