3-(Diethylamino)-6-methylfluoran
TL;DR: 3-(Diethylamino)-6-methylfluoran (CAS 72089-06-6) is a chemical compound with molecular formula C25H23NO3 and molecular weight 385.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3'-(diethylamino)-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 3-(Diethylamino)-6-methylfluoran, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3'-(diethylamino)-6'-methyl-, (3S)-3'-(diethylamino)-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
| Molecular Formula | C25H23NO3 |
|---|---|
| Molecular Weight | 385.17 g/mol |
| LogP | 5.40922 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.1678 |
| Heavy Atoms | 29 |
| Complexity | 1132.6625 |
Chemical Identifiers
| CAS Number | 72089-06-6 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)[C@@]3(C4=C(O2)C=C(C=C4)C)C5=CC=CC=C5C(=O)O3 |
Product Overview
3-(Diethylamino)-6-methylfluoran (CAS 72089-06-6), with molecular formula C25H23NO3 and molecular weight 385.17 g/mol. IUPAC: (3S)-3'-(diethylamino)-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 3-(Diethylamino)-6-methylfluoran
Property Insights of 3-(Diethylamino)-6-methylfluoran
The XLogP value of 5.40922 indicates that 3-(Diethylamino)-6-methylfluoran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 3-(Diethylamino)-6-methylfluoran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)-6-methylfluoran has 0 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 3-(Diethylamino)-6-methylfluoran?
The CAS number of 3-(Diethylamino)-6-methylfluoran is 72089-06-6.
What is the molecular formula of 3-(Diethylamino)-6-methylfluoran?
The molecular formula of 3-(Diethylamino)-6-methylfluoran is C25H23NO3.
What is the molecular weight of 3-(Diethylamino)-6-methylfluoran?
The molecular weight of 3-(Diethylamino)-6-methylfluoran is 385.17 g/mol.
Where can I buy 3-(Diethylamino)-6-methylfluoran?
You can request a quote for 3-(Diethylamino)-6-methylfluoran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)-6-methylfluoran?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)-6-methylfluoran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.