BIM-0013476.P001
TL;DR: BIM-0013476.P001 (CAS 307339-56-6) is a chemical compound with molecular formula C24H30O4S and molecular weight 414.19 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)-(4-methylsulfanylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BIM-0013476.P001, AB01322511-02, AN-329/10081015, 2-{(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)[4-(methylsulfanyl)phenyl]methyl}-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(4-methylsulfanylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C24H30O4S |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 5.2677 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1865 |
| Heavy Atoms | 29 |
| Complexity | 856.64667 |
Chemical Identifiers
| CAS Number | 307339-56-6 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)SC)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
BIM-0013476.P001 (CAS 307339-56-6), with molecular formula C24H30O4S and molecular weight 414.19 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(4-methylsulfanylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of BIM-0013476.P001
Property Insights of BIM-0013476.P001
The XLogP value of 5.2677 indicates that BIM-0013476.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0013476.P001. Following Lipinski's Rule of Five, BIM-0013476.P001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0013476.P001?
The CAS number of BIM-0013476.P001 is 307339-56-6.
What is the molecular formula of BIM-0013476.P001?
The molecular formula of BIM-0013476.P001 is C24H30O4S.
What is the molecular weight of BIM-0013476.P001?
The molecular weight of BIM-0013476.P001 is 414.19 g/mol.
Where can I buy BIM-0013476.P001?
You can request a quote for BIM-0013476.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0013476.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0013476.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.