RefChem:888831
TL;DR: RefChem:888831 (CAS 70516-51-7) is a chemical compound with molecular formula C35H36N2O3 and molecular weight 532.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-anilino-6'-[ethyl(hexyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 9-(sulfooxy)octadecanoic acid, 3-(Ethylhexylamino)-6-methyl-7-anilinofluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)-, 2'-anilino-6'-3'-methylspiro[phthalide-3,9'-[9h]xanthene], Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)-
| Molecular Formula | C35H36N2O3 |
|---|---|
| Molecular Weight | 532.27 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.2726 |
| Heavy Atoms | 40 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 70516-51-7 |
|---|---|
| SMILES | CCCCCCN(CC)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 | RYSOWSAJXSTJPE-UHFFFAOYSA-N |
Product Overview
RefChem:888831 (CAS 70516-51-7), with molecular formula C35H36N2O3 and molecular weight 532.27 g/mol. IUPAC: 2'-anilino-6'-[ethyl(hexyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888831
Property Insights of RefChem:888831
The XLogP value of 8.9 indicates that RefChem:888831 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:888831 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888831 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:888831?
The CAS number of RefChem:888831 is 70516-51-7.
What is the molecular formula of RefChem:888831?
The molecular formula of RefChem:888831 is C35H36N2O3.
What is the molecular weight of RefChem:888831?
The molecular weight of RefChem:888831 is 532.27 g/mol.
Where can I buy RefChem:888831?
You can request a quote for RefChem:888831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888831?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.