BAS 00548937
TL;DR: BAS 00548937 (CAS 306324-88-9) is a chemical compound with molecular formula C25H31NO8 and molecular weight 473.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-dimethoxy-2-nitrophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BAS 00548937, A1224/0056442, 2-((2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl){2-nitro-4,5-dimethoxyphenyl}methyl)-5,5-dimethyl-1,3-cyclohexanedione, 2-[(4,5-dimethoxy-2-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(4,5-dimethoxy-2-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C25H31NO8 |
|---|---|
| Molecular Weight | 473.20 g/mol |
| LogP | 4.4712 |
| Topological Polar Surface Area | 133.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.20496 |
| Heavy Atoms | 34 |
| Complexity | 1078.378 |
Chemical Identifiers
| CAS Number | 306324-88-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
BAS 00548937 (CAS 306324-88-9), with molecular formula C25H31NO8 and molecular weight 473.20 g/mol. IUPAC: 2-[(4,5-dimethoxy-2-nitrophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of BAS 00548937
Property Insights of BAS 00548937
The XLogP value of 4.4712 indicates that BAS 00548937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00548937. Following Lipinski's Rule of Five, BAS 00548937 has 1 hydrogen bond donor(s) and 8 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 BAS 00548937?
The CAS number of BAS 00548937 is 306324-88-9.
What is the molecular formula of BAS 00548937?
The molecular formula of BAS 00548937 is C25H31NO8.
What is the molecular weight of BAS 00548937?
The molecular weight of BAS 00548937 is 473.20 g/mol.
Where can I buy BAS 00548937?
You can request a quote for BAS 00548937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00548937?
Yes, KEHONG BIO provides custom synthesis services for BAS 00548937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.