ChemDiv1_006126
TL;DR: ChemDiv1_006126 (CAS 313670-78-9) is a chemical compound with molecular formula C23H25BrO3 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-bromophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_006126, BAS 00405731, 9-(3-bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, J3.659.913H, 9-(3-bromophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
| Molecular Formula | C23H25BrO3 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 5.8493 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 428.09872 |
| Heavy Atoms | 27 |
| Complexity | 865.3061 |
Chemical Identifiers
| CAS Number | 313670-78-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)Br)C(=O)C1)C |
Product Overview
ChemDiv1_006126 (CAS 313670-78-9), with molecular formula C23H25BrO3 and molecular weight 428.10 g/mol. IUPAC: 9-(3-bromophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_006126
Property Insights of ChemDiv1_006126
The XLogP value of 5.8493 indicates that ChemDiv1_006126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, ChemDiv1_006126 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006126 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006126?
The CAS number of ChemDiv1_006126 is 313670-78-9.
What is the molecular formula of ChemDiv1_006126?
The molecular formula of ChemDiv1_006126 is C23H25BrO3.
What is the molecular weight of ChemDiv1_006126?
The molecular weight of ChemDiv1_006126 is 428.10 g/mol.
Where can I buy ChemDiv1_006126?
You can request a quote for ChemDiv1_006126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006126?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.