![1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate structure](/static/products/940/94026-86-5.png)
1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate
TL;DR: 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate (CAS 94026-86-5) is a chemical compound with molecular formula C15H27NO2 and molecular weight 253.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) N,N-diethylcarbamate
Also Known As: NCIOpen2_002820, 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl diethylcarbamate, (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) N,N-diethylcarbam, (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) N,N-diethylcarbamate
| Molecular Formula | C15H27NO2 |
|---|---|
| Molecular Weight | 253.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.20418 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 94026-86-5 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1C(C2CCC1(C2)C)(C)C |
| InChIKey | IAXGAHCTCBLTDE-UHFFFAOYSA-N |
Product Overview
1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate (CAS 94026-86-5), with molecular formula C15H27NO2 and molecular weight 253.20 g/mol. IUPAC: (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) N,N-diethylcarbamate.
Chemical Property Profile of 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate
Property Insights of 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate
The XLogP value of 3.8 indicates that 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate has 0 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 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate?
The CAS number of 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate is 94026-86-5.
What is the molecular formula of 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate?
The molecular formula of 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate is C15H27NO2.
What is the molecular weight of 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate?
The molecular weight of 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate is 253.20 g/mol.
Where can I buy 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate?
You can request a quote for 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.