RefChem:888571
TL;DR: RefChem:888571 (CAS 68134-60-1) is a chemical compound with molecular formula C35H30N2O3 and molecular weight 526.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-(benzylamino)-9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
Also Known As: 4-Benzylamino-8-diethylaminobenzo(a)fluoran, Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-(diethylamino)-4-[(phenylmethyl)amino]-, 4-[(benzyl)amino]-9-(diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, Spiro(12H-benzo(a)xanthene-12,1'(3'H)-isobenzofuran)-3'-one, 9-(diethylamino)-4-((phenylmethyl)amino)-, 4'-(benzylamino)-9'-(diethylamino)-3h-spiro[2-benzofuran-1,12'-benzo[a]xanthen]-3-one
| Molecular Formula | C35H30N2O3 |
|---|---|
| Molecular Weight | 526.23 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.22565 |
| Heavy Atoms | 40 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 68134-60-1 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=C5C=CC=C6NCC7=CC=CC=C7 |
| InChIKey | PVZPAVABUGTGQO-UHFFFAOYSA-N |
Product Overview
RefChem:888571 (CAS 68134-60-1), with molecular formula C35H30N2O3 and molecular weight 526.23 g/mol. IUPAC: 4'-(benzylamino)-9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one.
Chemical Property Profile of RefChem:888571
Property Insights of RefChem:888571
The XLogP value of 7.7 indicates that RefChem:888571 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:888571 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888571 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:888571?
The CAS number of RefChem:888571 is 68134-60-1.
What is the molecular formula of RefChem:888571?
The molecular formula of RefChem:888571 is C35H30N2O3.
What is the molecular weight of RefChem:888571?
The molecular weight of RefChem:888571 is 526.23 g/mol.
Where can I buy RefChem:888571?
You can request a quote for RefChem:888571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888571?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.