RefChem:385970
TL;DR: RefChem:385970 (CAS 79013-42-6) is a chemical compound with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate
Also Known As: Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3,5,7-trimethyl-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester, 5-Carbamoyl-1H-imidazole-4-yl 3',5',7'-trimethyladamantane-1'-carboxylate, (5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-c, (5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate, 5-CARBAMOYL-1H-IMIDAZOL-4-YL 3,5,7-TRIMETHYLADAMANTANE-1-CARBOXYLATE
| Molecular Formula | C18H25N3O3 |
|---|---|
| Molecular Weight | 331.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1896 |
| Heavy Atoms | 24 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 79013-42-6 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)C(=O)OC4=C(NC=N4)C(=O)N)C)C |
| InChIKey | NGEIRZOWUFHJIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:385970 (CAS 79013-42-6), with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) 3,5,7-trimethyladamantane-1-carboxylate.
Chemical Property Profile of RefChem:385970
Property Insights of RefChem:385970
The XLogP value of 3.1 indicates that RefChem:385970 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:385970. Following Lipinski's Rule of Five, RefChem:385970 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:385970?
The CAS number of RefChem:385970 is 79013-42-6.
What is the molecular formula of RefChem:385970?
The molecular formula of RefChem:385970 is C18H25N3O3.
What is the molecular weight of RefChem:385970?
The molecular weight of RefChem:385970 is 331.19 g/mol.
Where can I buy RefChem:385970?
You can request a quote for RefChem:385970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385970?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.