RefChem:888822
TL;DR: RefChem:888822 (CAS 55772-72-0) is a chemical compound with molecular formula C31H26N2O3 and molecular weight 474.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-anilino-3'-methyl-6'-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 3-Pyrrolidino-6-methyl-7-anilinofluoran, 6-Pirrolidino-3-methyl-2-anilinofluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3'-methyl-2'-(phenylamino)-6'-(1-pyrrolidinyl)-, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3'-methyl-2'-(phenylamino)-6'-(1-pyrrolidinyl)-, 2'-anilino-3'-methyl-6'-(pyrrolidin-1-yl)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one
| Molecular Formula | C31H26N2O3 |
|---|---|
| Molecular Weight | 474.19 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.19434 |
| Heavy Atoms | 36 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 55772-72-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1NC3=CC=CC=C3)C4(C5=C(O2)C=C(C=C5)N6CCCC6)C7=CC=CC=C7C(=O)O4 |
| InChIKey | JFNWGAYGVJGNBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888822 (CAS 55772-72-0), with molecular formula C31H26N2O3 and molecular weight 474.19 g/mol. IUPAC: 2'-anilino-3'-methyl-6'-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888822
Property Insights of RefChem:888822
The XLogP value of 6.7 indicates that RefChem:888822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:888822 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888822 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:888822?
The CAS number of RefChem:888822 is 55772-72-0.
What is the molecular formula of RefChem:888822?
The molecular formula of RefChem:888822 is C31H26N2O3.
What is the molecular weight of RefChem:888822?
The molecular weight of RefChem:888822 is 474.19 g/mol.
Where can I buy RefChem:888822?
You can request a quote for RefChem:888822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888822?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.