AN-329/10081006
TL;DR: AN-329/10081006 (CAS 307339-54-4) is a chemical compound with molecular formula C24H27NO4 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]benzonitrile
Also Known As: AN-329/10081006, 4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]benzonitrile, 4-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]benzonitrile, 4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]benzonitrile, 4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6 )-enyl)methyl]benzenecarbonitrile
| Molecular Formula | C24H27NO4 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 4.41748 |
| Topological Polar Surface Area | 95.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.194 |
| Heavy Atoms | 29 |
| Complexity | 924.0879 |
Chemical Identifiers
| CAS Number | 307339-54-4 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)C#N)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
AN-329/10081006 (CAS 307339-54-4), with molecular formula C24H27NO4 and molecular weight 393.19 g/mol. IUPAC: 4-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]benzonitrile.
Chemical Property Profile of AN-329/10081006
Property Insights of AN-329/10081006
The XLogP value of 4.41748 indicates that AN-329/10081006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/10081006. Following Lipinski's Rule of Five, AN-329/10081006 has 1 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 AN-329/10081006?
The CAS number of AN-329/10081006 is 307339-54-4.
What is the molecular formula of AN-329/10081006?
The molecular formula of AN-329/10081006 is C24H27NO4.
What is the molecular weight of AN-329/10081006?
The molecular weight of AN-329/10081006 is 393.19 g/mol.
Where can I buy AN-329/10081006?
You can request a quote for AN-329/10081006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/10081006?
Yes, KEHONG BIO provides custom synthesis services for AN-329/10081006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.