4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate
TL;DR: 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate (CAS 79013-37-9) is a chemical compound with molecular formula C15H18ClN3O3 and molecular weight 323.10 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-chloroadamantane-1-carboxylate
Also Known As: 5-Carbamoyl-1H-imidazole-4-yl 3'-chloroadamantane-1'-carboxylate, (5-carbamoyl-1H-imidazol-4-yl) 3-chloroadamantane-1-carboxylate, 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate, (5-carbamoyl-1H-imidazol-4-yl) 3-chloroadamantane-1-carboxyl, Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-chloro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
| Molecular Formula | C15H18ClN3O3 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.10367 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 79013-37-9 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=C(NC=N4)C(=O)N |
| InChIKey | NJSKIZPPQRQXGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate (CAS 79013-37-9), with molecular formula C15H18ClN3O3 and molecular weight 323.10 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) 3-chloroadamantane-1-carboxylate.
Chemical Property Profile of 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate
Property Insights of 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate. Following Lipinski's Rule of Five, 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate 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 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate?
The CAS number of 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate is 79013-37-9.
What is the molecular formula of 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate?
The molecular formula of 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate is C15H18ClN3O3.
What is the molecular weight of 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate?
The molecular weight of 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate is 323.10 g/mol.
Where can I buy 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate?
You can request a quote for 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbamoyl-1H-imidazol-5-yl 3-chloroadamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.