ChemDiv1_010815
TL;DR: ChemDiv1_010815 (CAS 40588-46-3) is a chemical compound with molecular formula C23H25NO5 and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_010815, J1.810.626D, 3,3,6,6-tetramethyl-9-(4-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 3,3,6,6-tetramethyl-9-(4-nitrophenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione, A0601/0027810
| Molecular Formula | C23H25NO5 |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 4.995 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.17328 |
| Heavy Atoms | 29 |
| Complexity | 942.5995 |
Chemical Identifiers
| CAS Number | 40588-46-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
ChemDiv1_010815 (CAS 40588-46-3), with molecular formula C23H25NO5 and molecular weight 395.17 g/mol. IUPAC: 3,3,6,6-tetramethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_010815
Property Insights of ChemDiv1_010815
The XLogP value of 4.995 indicates that ChemDiv1_010815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010815. Following Lipinski's Rule of Five, ChemDiv1_010815 has 0 hydrogen bond donor(s) and 5 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_010815?
The CAS number of ChemDiv1_010815 is 40588-46-3.
What is the molecular formula of ChemDiv1_010815?
The molecular formula of ChemDiv1_010815 is C23H25NO5.
What is the molecular weight of ChemDiv1_010815?
The molecular weight of ChemDiv1_010815 is 395.17 g/mol.
Where can I buy ChemDiv1_010815?
You can request a quote for ChemDiv1_010815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010815?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.