ChemDiv1_010594
TL;DR: ChemDiv1_010594 (CAS 310456-84-9) is a chemical compound with molecular formula C24H27NO7 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_010594, BAS 00436661, AB00084072-01, A0837/0039268, 9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
| Molecular Formula | C24H27NO7 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 4.7092 |
| Topological Polar Surface Area | 115.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.17874 |
| Heavy Atoms | 32 |
| Complexity | 1071.4021 |
Chemical Identifiers
| CAS Number | 310456-84-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-])C(=O)C1)C |
Product Overview
ChemDiv1_010594 (CAS 310456-84-9), with molecular formula C24H27NO7 and molecular weight 441.18 g/mol. IUPAC: 9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_010594
Property Insights of ChemDiv1_010594
The XLogP value of 4.7092 indicates that ChemDiv1_010594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010594. Following Lipinski's Rule of Five, ChemDiv1_010594 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010594?
The CAS number of ChemDiv1_010594 is 310456-84-9.
What is the molecular formula of ChemDiv1_010594?
The molecular formula of ChemDiv1_010594 is C24H27NO7.
What is the molecular weight of ChemDiv1_010594?
The molecular weight of ChemDiv1_010594 is 441.18 g/mol.
Where can I buy ChemDiv1_010594?
You can request a quote for ChemDiv1_010594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010594?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.