RefChem:888764
TL;DR: RefChem:888764 (CAS 21121-62-0) is a chemical compound with molecular formula C25H22ClNO3 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-chloro-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 3-Diethylamino-6-methyl-7-chlorofluoran, 2'-Chloro-6'-(diethylamino)-3'-methylfluoran, Heat(Pressure) Sensitive Scarlet TF-R2, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-3'-methyl-, 2'-Chloro-6'-(diethylamino)-3'-methyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
| Molecular Formula | C25H22ClNO3 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.1288 |
| Heavy Atoms | 30 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 21121-62-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)Cl)C |
| InChIKey | HUOKHAMXPNSWBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888764 (CAS 21121-62-0), with molecular formula C25H22ClNO3 and molecular weight 419.13 g/mol. IUPAC: 2'-chloro-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888764
Property Insights of RefChem:888764
The XLogP value of 6.0 indicates that RefChem:888764 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:888764 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888764 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:888764?
The CAS number of RefChem:888764 is 21121-62-0.
What is the molecular formula of RefChem:888764?
The molecular formula of RefChem:888764 is C25H22ClNO3.
What is the molecular weight of RefChem:888764?
The molecular weight of RefChem:888764 is 419.13 g/mol.
Where can I buy RefChem:888764?
You can request a quote for RefChem:888764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888764?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.