![1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE structure](/static/products/100/1005090-02-7.png)
1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
TL;DR: 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE (CAS 1005090-02-7) is a chemical compound with molecular formula C25H34O8 and molecular weight 462.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE, di-tert-butyl 4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, di-tert-butyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, Ditert-butyl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate, ditert-butyl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C25H34O8 |
|---|---|
| Molecular Weight | 462.23 g/mol |
| LogP | 3.1964 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.22537 |
| Heavy Atoms | 33 |
| Complexity | 915.2107 |
Chemical Identifiers
| CAS Number | 1005090-02-7 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(=O)OC)C(=O)OC(C)(C)C)O |
Product Overview
1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE (CAS 1005090-02-7), with molecular formula C25H34O8 and molecular weight 462.23 g/mol. IUPAC: ditert-butyl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
Property Insights of 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
The XLogP value of 3.1964 indicates that 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE. Following Lipinski's Rule of Five, 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE has 1 hydrogen bond donor(s) and 8 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 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE?
The CAS number of 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE is 1005090-02-7.
What is the molecular formula of 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE?
The molecular formula of 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE is C25H34O8.
What is the molecular weight of 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE?
The molecular weight of 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE is 462.23 g/mol.
Where can I buy 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE?
You can request a quote for 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for 1,3-DI-TERT-BUTYL 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.