6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
TL;DR: 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one (CAS 40691-66-5) is a chemical compound with molecular formula C27H25NO3 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(cyclohexylamino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 6-Cyclohexylamino-2-methylfluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(cyclohexylamino)-2'-methyl-, 6'-(cyclohexylamino)-2'-methyl-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one, 6'-(Cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(cyclohexylamino)-2'-methyl-
| Molecular Formula | C27H25NO3 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.18344 |
| Heavy Atoms | 31 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 40691-66-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)NC6CCCCC6 |
| InChIKey | OJMMRJXMDLNRFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one (CAS 40691-66-5), with molecular formula C27H25NO3 and molecular weight 411.18 g/mol. IUPAC: 6'-(cyclohexylamino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
Property Insights of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
The XLogP value of 6.3 indicates that 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one?
The CAS number of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one is 40691-66-5.
What is the molecular formula of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one?
The molecular formula of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one is C27H25NO3.
What is the molecular weight of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one?
The molecular weight of 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one is 411.18 g/mol.
Where can I buy 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one?
You can request a quote for 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6'-(cyclohexylamino)-2'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.