NCIStruc1_000229
TL;DR: NCIStruc1_000229 (CAS 106545-55-5) is a chemical compound with molecular formula C44H28O5 and molecular weight 636.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',6'-dihydroxy-4,5,6,7-tetraphenylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: NCIStruc1_000229, NCIStruc2_000077, Fluorescein, 4,5,6,7-tetraphenyl-, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3,4,5,6-tetraphenyl-3',6'-dihydroxy-, 3',6'-Dihydroxy-4,5,6,7-tetraphenyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
| Molecular Formula | C44H28O5 |
|---|---|
| Molecular Weight | 636.19 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 636.19366 |
| Heavy Atoms | 49 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 106545-55-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)OC35C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)C8=CC=CC=C8)C9=CC=CC=C9 |
| InChIKey | BMASRXKWMMABRC-UHFFFAOYSA-N |
Product Overview
NCIStruc1_000229 (CAS 106545-55-5), with molecular formula C44H28O5 and molecular weight 636.19 g/mol. IUPAC: 3',6'-dihydroxy-4,5,6,7-tetraphenylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of NCIStruc1_000229
Property Insights of NCIStruc1_000229
The XLogP value of 9.9 indicates that NCIStruc1_000229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIStruc1_000229. Following Lipinski's Rule of Five, NCIStruc1_000229 has 2 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 NCIStruc1_000229?
The CAS number of NCIStruc1_000229 is 106545-55-5.
What is the molecular formula of NCIStruc1_000229?
The molecular formula of NCIStruc1_000229 is C44H28O5.
What is the molecular weight of NCIStruc1_000229?
The molecular weight of NCIStruc1_000229 is 636.19 g/mol.
Where can I buy NCIStruc1_000229?
You can request a quote for NCIStruc1_000229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000229?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.