ChemDiv1_018526
TL;DR: ChemDiv1_018526 (CAS 404912-69-2) is a chemical compound with molecular formula C25H29BrO5 and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_018526, BIM-0002839.P001, A2698/0114820, 9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-(3-BROMO-5-ETHOXY-4-HYDROXYPHENYL)-3,3,6,6-TETRAMETHYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-XANTHENE-1,8-DIONE
| Molecular Formula | C25H29BrO5 |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 5.9536 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.11984 |
| Heavy Atoms | 31 |
| Complexity | 992.23724 |
Chemical Identifiers
| CAS Number | 404912-69-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)Br)O |
Product Overview
ChemDiv1_018526 (CAS 404912-69-2), with molecular formula C25H29BrO5 and molecular weight 488.12 g/mol. IUPAC: 9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_018526
Property Insights of ChemDiv1_018526
The XLogP value of 5.9536 indicates that ChemDiv1_018526 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018526. Following Lipinski's Rule of Five, ChemDiv1_018526 has 1 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 ChemDiv1_018526?
The CAS number of ChemDiv1_018526 is 404912-69-2.
What is the molecular formula of ChemDiv1_018526?
The molecular formula of ChemDiv1_018526 is C25H29BrO5.
What is the molecular weight of ChemDiv1_018526?
The molecular weight of ChemDiv1_018526 is 488.12 g/mol.
Where can I buy ChemDiv1_018526?
You can request a quote for ChemDiv1_018526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018526?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.