ChemDiv1_011440
TL;DR: ChemDiv1_011440 (CAS 312515-52-9) is a chemical compound with molecular formula C23H25BrO4 and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_011440, J2.966.378E, A1968/0082746, 9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-(5-BROMO-2-HYDROXYPHENYL)-3,3,6,6-TETRAMETHYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-XANTHENE-1,8-DIONE
| Molecular Formula | C23H25BrO4 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 5.5549 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 444.09363 |
| Heavy Atoms | 28 |
| Complexity | 912.81445 |
Chemical Identifiers
| CAS Number | 312515-52-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=CC(=C4)Br)O)C(=O)C1)C |
Product Overview
ChemDiv1_011440 (CAS 312515-52-9), with molecular formula C23H25BrO4 and molecular weight 444.09 g/mol. IUPAC: 9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_011440
Property Insights of ChemDiv1_011440
The XLogP value of 5.5549 indicates that ChemDiv1_011440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011440. Following Lipinski's Rule of Five, ChemDiv1_011440 has 1 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 ChemDiv1_011440?
The CAS number of ChemDiv1_011440 is 312515-52-9.
What is the molecular formula of ChemDiv1_011440?
The molecular formula of ChemDiv1_011440 is C23H25BrO4.
What is the molecular weight of ChemDiv1_011440?
The molecular weight of ChemDiv1_011440 is 444.09 g/mol.
Where can I buy ChemDiv1_011440?
You can request a quote for ChemDiv1_011440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011440?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.