RefChem:825970
TL;DR: RefChem:825970 (CAS 55954-19-3) is a chemical compound with molecular formula C24H40N4O4 and molecular weight 448.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-N-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]azepane-1-carboxamide
Also Known As: Isophorone diisocyanate caprolactam adduct (1:2), 1H-Azepine-1-carboxamide, N-(3-((((hexahydro-2-oxo-1H-azepin-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-, N-(3-(((((Hexahydro-2-oxo-1H-azepin)-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-1H-azepine-1-carboxamide, 3,3-dimethyl-2,6-diphenyl-3,4-dihydro-2H-pyran, 1-((1-Aza-2-oxocyclohept-1-yl)carbonylaminomethyl)-3-((1-aza-2-oxocyclohept-1-yl)carbonylamino)-1,5,5-trimethylcyclohexane
| Molecular Formula | C24H40N4O4 |
|---|---|
| Molecular Weight | 448.30 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.30496 |
| Heavy Atoms | 32 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 55954-19-3 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CNC(=O)N2CCCCCC2=O)NC(=O)N3CCCCCC3=O)C |
| InChIKey | OUXZKCYUOAUYIV-UHFFFAOYSA-N |
Product Overview
RefChem:825970 (CAS 55954-19-3), with molecular formula C24H40N4O4 and molecular weight 448.30 g/mol. IUPAC: 2-oxo-N-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]azepane-1-carboxamide.
Chemical Property Profile of RefChem:825970
Property Insights of RefChem:825970
The XLogP value of 3.3 indicates that RefChem:825970 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825970. Following Lipinski's Rule of Five, RefChem:825970 has 2 hydrogen bond donor(s) and 4 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 RefChem:825970?
The CAS number of RefChem:825970 is 55954-19-3.
What is the molecular formula of RefChem:825970?
The molecular formula of RefChem:825970 is C24H40N4O4.
What is the molecular weight of RefChem:825970?
The molecular weight of RefChem:825970 is 448.30 g/mol.
Where can I buy RefChem:825970?
You can request a quote for RefChem:825970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825970?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.