RefChem:888759
TL;DR: RefChem:888759 (CAS 85327-13-5) is a chemical compound with molecular formula C37H38N2O3 and molecular weight 558.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-[benzyl(cyclohexyl)amino]-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-[cyclohexyl(phenylmethyl)amino]-6'-(diethylamino)-, 6-Diethylamino-2-(N-cyclohexyl-N-benzylamino)fluoran, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-(cyclohexyl(phenylmethyl)amino)-6'-(diethylamino)-, 2'-[benzyl(cyclohexyl)amino]-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2'-(Benzyl(cyclohexyl)amino)-6'-(diethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
| Molecular Formula | C37H38N2O3 |
|---|---|
| Molecular Weight | 558.29 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 558.28827 |
| Heavy Atoms | 42 |
| Complexity | 911.0 |
Chemical Identifiers
| CAS Number | 85327-13-5 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(CC6=CC=CC=C6)C7CCCCC7 |
| InChIKey | MEMPWOSQQAPWBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888759 (CAS 85327-13-5), with molecular formula C37H38N2O3 and molecular weight 558.29 g/mol. IUPAC: 2'-[benzyl(cyclohexyl)amino]-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888759
Property Insights of RefChem:888759
The XLogP value of 8.4 indicates that RefChem:888759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, RefChem:888759 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888759 has 0 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:888759?
The CAS number of RefChem:888759 is 85327-13-5.
What is the molecular formula of RefChem:888759?
The molecular formula of RefChem:888759 is C37H38N2O3.
What is the molecular weight of RefChem:888759?
The molecular weight of RefChem:888759 is 558.29 g/mol.
Where can I buy RefChem:888759?
You can request a quote for RefChem:888759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888759?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.