Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester
TL;DR: Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester (CAS 63884-85-5) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butyl-1-ethynylcyclohexyl) carbamate
Also Known As: USAF EL-107, 4-tert-Butyl-1-ethynylcyclohexyl carbamate, CARBAMIC ACID, 4-tert-BUTYL-1-ETHYNYLCYCLOHEXYL ESTER, (4-tert-butyl-1-ethynylcyclohexyl) carbamate, 4-tert-Butyl-1-ethynylcyclohexyl=carbamate
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 63884-85-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)(C#C)OC(=O)N |
| InChIKey | YQBAJGLIODBQFB-UHFFFAOYSA-N |
Product Overview
Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester (CAS 63884-85-5), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: (4-tert-butyl-1-ethynylcyclohexyl) carbamate.
Chemical Property Profile of Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester
Property Insights of Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester has 1 hydrogen bond donor(s) and 2 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 Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester?
The CAS number of Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester is 63884-85-5.
What is the molecular formula of Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester?
The molecular formula of Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester is C13H21NO2.
What is the molecular weight of Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester?
The molecular weight of Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester is 223.16 g/mol.
Where can I buy Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester?
You can request a quote for Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 4-tert-butyl-1-ethynylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.