DivK1c_005049
TL;DR: DivK1c_005049 (CAS 314283-40-4) is a chemical compound with molecular formula C30H34O5 and molecular weight 474.24 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)-(2-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: DivK1c_005049, CDS1_004009, BIM-0017444.P001, 2-[[2-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C30H34O5 |
|---|---|
| Molecular Weight | 474.24 g/mol |
| LogP | 6.1248 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.24063 |
| Heavy Atoms | 35 |
| Complexity | 1152.2428 |
Chemical Identifiers
| CAS Number | 314283-40-4 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=C(CC(CC4=O)(C)C)O)C |
Product Overview
DivK1c_005049 (CAS 314283-40-4), with molecular formula C30H34O5 and molecular weight 474.24 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of DivK1c_005049
Property Insights of DivK1c_005049
The XLogP value of 6.1248 indicates that DivK1c_005049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005049. Following Lipinski's Rule of Five, DivK1c_005049 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 DivK1c_005049?
The CAS number of DivK1c_005049 is 314283-40-4.
What is the molecular formula of DivK1c_005049?
The molecular formula of DivK1c_005049 is C30H34O5.
What is the molecular weight of DivK1c_005049?
The molecular weight of DivK1c_005049 is 474.24 g/mol.
Where can I buy DivK1c_005049?
You can request a quote for DivK1c_005049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005049?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.