IDI1_002953
TL;DR: IDI1_002953 (CAS 1005121-28-7) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Also Known As: IDI1_002953, di-tert-butyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate, (E)-di-tert-butyl 4-hydroxy-4-methyl-6-oxo-2-styrylcyclohexane-1,3-dicarboxylate, ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 3.9556 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 839.0035 |
Chemical Identifiers
| CAS Number | 1005121-28-7 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)O |
Product Overview
IDI1_002953 (CAS 1005121-28-7), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate.
Chemical Property Profile of IDI1_002953
Property Insights of IDI1_002953
The XLogP value of 3.9556 indicates that IDI1_002953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_002953. Following Lipinski's Rule of Five, IDI1_002953 has 1 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 IDI1_002953?
The CAS number of IDI1_002953 is 1005121-28-7.
What is the molecular formula of IDI1_002953?
The molecular formula of IDI1_002953 is C25H34O6.
What is the molecular weight of IDI1_002953?
The molecular weight of IDI1_002953 is 430.24 g/mol.
Where can I buy IDI1_002953?
You can request a quote for IDI1_002953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_002953?
Yes, KEHONG BIO provides custom synthesis services for IDI1_002953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.