BIM-0032479.P001
TL;DR: BIM-0032479.P001 (CAS 5686-05-5) is a chemical compound with molecular formula C25H32O6 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: BIM-0032479.P001, 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohex-2-en-1-one, 2,2'-{[3-(hydroxymethyl)-4-methoxyphenyl]methylene}bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one), 2,2'-{[3-(Hydroxymethyl)-4-methoxyphenyl]methylene}bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 4.6735 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 927.7264 |
Chemical Identifiers
| CAS Number | 5686-05-5 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C=C2)OC)CO)C3=C(CC(CC3=O)(C)C)O)O)C |
Product Overview
BIM-0032479.P001 (CAS 5686-05-5), with molecular formula C25H32O6 and molecular weight 428.22 g/mol. IUPAC: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of BIM-0032479.P001
Property Insights of BIM-0032479.P001
The XLogP value of 4.6735 indicates that BIM-0032479.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0032479.P001. Following Lipinski's Rule of Five, BIM-0032479.P001 has 3 hydrogen bond donor(s) and 6 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 BIM-0032479.P001?
The CAS number of BIM-0032479.P001 is 5686-05-5.
What is the molecular formula of BIM-0032479.P001?
The molecular formula of BIM-0032479.P001 is C25H32O6.
What is the molecular weight of BIM-0032479.P001?
The molecular weight of BIM-0032479.P001 is 428.22 g/mol.
Where can I buy BIM-0032479.P001?
You can request a quote for BIM-0032479.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0032479.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0032479.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.