4-Methyl-cyclohexan-1,1-dicarbonsaeure
TL;DR: 4-Methyl-cyclohexan-1,1-dicarbonsaeure (CAS 5438-24-4) is a chemical compound with molecular formula C25H30ClFN4O3 and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-fluorophenyl)-4-oxobutyl]-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide;hydrochloride
Also Known As: 4-Methyl-cyclohexan-1,1-dicarbonsaeure, 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, 8-(3-(p-fluorobenzoyl)propyl)-N-methyl-4-oxo-1-phenyl-, hydrochloride, 8-(4-(4-Fluorophenyl)-4-oxobutyl)-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide hydrochloride, 8-[4-(4-fluorophenyl)-4-oxobutyl]-N-methyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide hydrochloride, 8-[4-(4-Fluorophenyl)-4-oxobutyl]-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboximidic acid--hydrogen chloride (1/1)
| Molecular Formula | C25H30ClFN4O3 |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 3.6907 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.19904 |
| Heavy Atoms | 34 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 5438-24-4 |
|---|---|
| SMILES | CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl |
| InChIKey | IQBBWFFCFSPVNO-UHFFFAOYSA-N |
Product Overview
4-Methyl-cyclohexan-1,1-dicarbonsaeure (CAS 5438-24-4), with molecular formula C25H30ClFN4O3 and molecular weight 488.20 g/mol. IUPAC: 8-[4-(4-fluorophenyl)-4-oxobutyl]-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide;hydrochloride.
Chemical Property Profile of 4-Methyl-cyclohexan-1,1-dicarbonsaeure
Property Insights of 4-Methyl-cyclohexan-1,1-dicarbonsaeure
The XLogP value of 3.6907 indicates that 4-Methyl-cyclohexan-1,1-dicarbonsaeure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-cyclohexan-1,1-dicarbonsaeure. Following Lipinski's Rule of Five, 4-Methyl-cyclohexan-1,1-dicarbonsaeure has 2 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 4-Methyl-cyclohexan-1,1-dicarbonsaeure?
The CAS number of 4-Methyl-cyclohexan-1,1-dicarbonsaeure is 5438-24-4.
What is the molecular formula of 4-Methyl-cyclohexan-1,1-dicarbonsaeure?
The molecular formula of 4-Methyl-cyclohexan-1,1-dicarbonsaeure is C25H30ClFN4O3.
What is the molecular weight of 4-Methyl-cyclohexan-1,1-dicarbonsaeure?
The molecular weight of 4-Methyl-cyclohexan-1,1-dicarbonsaeure is 488.20 g/mol.
Where can I buy 4-Methyl-cyclohexan-1,1-dicarbonsaeure?
You can request a quote for 4-Methyl-cyclohexan-1,1-dicarbonsaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-cyclohexan-1,1-dicarbonsaeure?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-cyclohexan-1,1-dicarbonsaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.