RefChem:888832
TL;DR: RefChem:888832 (CAS 70516-49-3) is a chemical compound with molecular formula C34H34N2O3 and molecular weight 518.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-anilino-6'-[hexyl(methyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 3-(Methylhexylamino)-6-methyl-7-anilinofluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(hexylmethylamino)-3'-methyl-2'-(phenylamino)-, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(hexylmethylamino)-3'-methyl-2'-(phenylamino)-, 2'-anilino-6'-[hexyl(methyl)amino]-3'-methyl-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one, 2'-Anilino-6'-[hexyl(methyl)amino]-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
| Molecular Formula | C34H34N2O3 |
|---|---|
| Molecular Weight | 518.26 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.25696 |
| Heavy Atoms | 39 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 70516-49-3 |
|---|---|
| SMILES | CCCCCCN(C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C |
| InChIKey | GXIGURDYXJAEFF-UHFFFAOYSA-N |
Product Overview
RefChem:888832 (CAS 70516-49-3), with molecular formula C34H34N2O3 and molecular weight 518.26 g/mol. IUPAC: 2'-anilino-6'-[hexyl(methyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888832
Property Insights of RefChem:888832
The XLogP value of 8.5 indicates that RefChem:888832 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:888832 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888832 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:888832?
The CAS number of RefChem:888832 is 70516-49-3.
What is the molecular formula of RefChem:888832?
The molecular formula of RefChem:888832 is C34H34N2O3.
What is the molecular weight of RefChem:888832?
The molecular weight of RefChem:888832 is 518.26 g/mol.
Where can I buy RefChem:888832?
You can request a quote for RefChem:888832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888832?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.