Einecs 245-466-8
TL;DR: Einecs 245-466-8 (CAS 23160-51-2) is a chemical compound with molecular formula C27H18ClNO3 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(benzylamino)-6'-chlorospiro[1-benzofuran-3,9'-xanthene]-2-one
Also Known As: 3'-(benzylamino)-6'-chlorospiro[1-benzofuran-3,9'-xanthen]-2-one, 3'-(benzylamino)-6'-chlorospiro[1-benzofuran-3,9'-xanthene]-2-one, 3'-(Benzylamino)-6'-chloro-2H-spiro[[1]benzofuran-3,9'-xanthen]-2-one, 3'-(Benzylamino)-6'-chloro-2H-spiro[1-benzofuran-3,9'-xanthen]-2-one, 6'-(Benzylamino)-3'-chlorospiro(isobenzofuran-1(3H)-9'(9H)-xanthene)-3-one
| Molecular Formula | C27H18ClNO3 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.09753 |
| Heavy Atoms | 32 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 23160-51-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)Cl)C6=CC=CC=C6OC4=O |
| InChIKey | OKNBYLKGMMUSPR-UHFFFAOYSA-N |
Product Overview
Einecs 245-466-8 (CAS 23160-51-2), with molecular formula C27H18ClNO3 and molecular weight 439.10 g/mol. IUPAC: 3'-(benzylamino)-6'-chlorospiro[1-benzofuran-3,9'-xanthene]-2-one.
Chemical Property Profile of Einecs 245-466-8
Property Insights of Einecs 245-466-8
The XLogP value of 6.2 indicates that Einecs 245-466-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Einecs 245-466-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 245-466-8 has 1 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 Einecs 245-466-8?
The CAS number of Einecs 245-466-8 is 23160-51-2.
What is the molecular formula of Einecs 245-466-8?
The molecular formula of Einecs 245-466-8 is C27H18ClNO3.
What is the molecular weight of Einecs 245-466-8?
The molecular weight of Einecs 245-466-8 is 439.10 g/mol.
Where can I buy Einecs 245-466-8?
You can request a quote for Einecs 245-466-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 245-466-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 245-466-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.