BIM-0048005.P001
TL;DR: BIM-0048005.P001 (CAS 316134-45-9) is a chemical compound with molecular formula C23H27ClO4 and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: BIM-0048005.P001, 2-[(2-chlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-chlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-chlorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-chlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one
| Molecular Formula | C23H27ClO4 |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 5.1992 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.1598 |
| Heavy Atoms | 28 |
| Complexity | 858.34344 |
Chemical Identifiers
| CAS Number | 316134-45-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=C2Cl)C3=C(CC(CC3=O)(C)C)O)C |
Product Overview
BIM-0048005.P001 (CAS 316134-45-9), with molecular formula C23H27ClO4 and molecular weight 402.16 g/mol. IUPAC: 2-[(2-chlorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of BIM-0048005.P001
Property Insights of BIM-0048005.P001
The XLogP value of 5.1992 indicates that BIM-0048005.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-0048005.P001. Following Lipinski's Rule of Five, BIM-0048005.P001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0048005.P001?
The CAS number of BIM-0048005.P001 is 316134-45-9.
What is the molecular formula of BIM-0048005.P001?
The molecular formula of BIM-0048005.P001 is C23H27ClO4.
What is the molecular weight of BIM-0048005.P001?
The molecular weight of BIM-0048005.P001 is 402.16 g/mol.
Where can I buy BIM-0048005.P001?
You can request a quote for BIM-0048005.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0048005.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0048005.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.