![2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one structure](/static/products/117/117342-26-4.png)
2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
TL;DR: 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (CAS 117342-26-4) is a chemical compound with molecular formula C29H30BrNO3 and molecular weight 519.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Vermillion DCF, 6'-di-n-butylamino-2'-bromo-3'-methylfluoran, 6'-(Dibutylamino)-2'-bromo-3'-methylspiro[phthalide-3,9'-[9H]xanthene], 2'-Bromo-6'-(dibutylamino)-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one, 2'-bromo-6'-(dibutylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
| Molecular Formula | C29H30BrNO3 |
|---|---|
| Molecular Weight | 519.14 g/mol |
| LogP | 7.73212 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1409 |
| Heavy Atoms | 34 |
| Complexity | 1246.1183 |
Chemical Identifiers
| CAS Number | 117342-26-4 |
|---|---|
| SMILES | CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)Br)C |
Product Overview
2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (CAS 117342-26-4), with molecular formula C29H30BrNO3 and molecular weight 519.14 g/mol. IUPAC: 2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Property Insights of 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
The XLogP value of 7.73212 indicates that 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one 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 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The CAS number of 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is 117342-26-4.
What is the molecular formula of 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The molecular formula of 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is C29H30BrNO3.
What is the molecular weight of 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The molecular weight of 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is 519.14 g/mol.
Where can I buy 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
You can request a quote for 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.