RefChem:888755
TL;DR: RefChem:888755 (CAS 72829-10-8) is a chemical compound with molecular formula C29H32N2O3 and molecular weight 456.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',6'-bis(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',6'-bis(diethylamino)-3'-methyl-, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',6'-bis(diethylamino)-3'-methyl-, 2',6'-bis(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one, 2',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2',6'-Bis(diethylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
| Molecular Formula | C29H32N2O3 |
|---|---|
| Molecular Weight | 456.24 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.2413 |
| Heavy Atoms | 34 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 72829-10-8 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)N(CC)CC)C |
| InChIKey | KOZJMQQDRDPMTR-UHFFFAOYSA-N |
Product Overview
RefChem:888755 (CAS 72829-10-8), with molecular formula C29H32N2O3 and molecular weight 456.24 g/mol. IUPAC: 2',6'-bis(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888755
Property Insights of RefChem:888755
The XLogP value of 6.2 indicates that RefChem:888755 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, RefChem:888755 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888755 has 0 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:888755?
The CAS number of RefChem:888755 is 72829-10-8.
What is the molecular formula of RefChem:888755?
The molecular formula of RefChem:888755 is C29H32N2O3.
What is the molecular weight of RefChem:888755?
The molecular weight of RefChem:888755 is 456.24 g/mol.
Where can I buy RefChem:888755?
You can request a quote for RefChem:888755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888755?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.