ChemDiv1_020701
TL;DR: ChemDiv1_020701 (CAS 304455-27-4) is a chemical compound with molecular formula C21H25NO7 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-nitrofuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: ChemDiv1_020701, BAS 03161502, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(5-nitro-2-furyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-((2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-nitrofuran-2-yl)methyl)-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXENYL)(5-NITRO-2-FURYL)METHYL]-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
| Molecular Formula | C21H25NO7 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 4.047 |
| Topological Polar Surface Area | 127.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.16312 |
| Heavy Atoms | 29 |
| Complexity | 914.581 |
Chemical Identifiers
| CAS Number | 304455-27-4 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(O2)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
ChemDiv1_020701 (CAS 304455-27-4), with molecular formula C21H25NO7 and molecular weight 403.16 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-nitrofuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of ChemDiv1_020701
Property Insights of ChemDiv1_020701
The XLogP value of 4.047 indicates that ChemDiv1_020701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020701. Following Lipinski's Rule of Five, ChemDiv1_020701 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_020701?
The CAS number of ChemDiv1_020701 is 304455-27-4.
What is the molecular formula of ChemDiv1_020701?
The molecular formula of ChemDiv1_020701 is C21H25NO7.
What is the molecular weight of ChemDiv1_020701?
The molecular weight of ChemDiv1_020701 is 403.16 g/mol.
Where can I buy ChemDiv1_020701?
You can request a quote for ChemDiv1_020701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020701?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.