A3271/0139139
TL;DR: A3271/0139139 (CAS 633282-40-3) is a chemical compound with molecular formula C22H32F3NO4 and molecular weight 431.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexane-1-carboxylate
Also Known As: A3271/0139139, 2,2,2-Trifluoroethyl 2-[[[2-(tricyclo[3.3.1.13,7]dec-1-yloxy)ethyl]amino]carbonyl]cyclohexanecarboxylate, 2,2,2-trifluoroethyl 2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexane-1-carboxylate, 2,2,2-TRIFLUOROETHYL 2-{[2-(ADAMANTAN-1-YLOXY)ETHYL]CARBAMOYL}CYCLOHEXANE-1-CARBOXYLATE, 2,2,2-trifluoroethyl 2-({[2-(1-adamantyloxy)ethyl]amino}carbonyl)cyclohexanecarboxylate
| Molecular Formula | C22H32F3NO4 |
|---|---|
| Molecular Weight | 431.23 g/mol |
| LogP | 3.9999 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.22833 |
| Heavy Atoms | 30 |
| Complexity | 615.49994 |
Chemical Identifiers
| CAS Number | 633282-40-3 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)NCCOC23CC4CC(C2)CC(C4)C3)C(=O)OCC(F)(F)F |
Product Overview
A3271/0139139 (CAS 633282-40-3), with molecular formula C22H32F3NO4 and molecular weight 431.23 g/mol. IUPAC: 2,2,2-trifluoroethyl 2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexane-1-carboxylate.
Chemical Property Profile of A3271/0139139
Property Insights of A3271/0139139
The XLogP value of 3.9999 indicates that A3271/0139139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A3271/0139139. Following Lipinski's Rule of Five, A3271/0139139 has 1 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 A3271/0139139?
The CAS number of A3271/0139139 is 633282-40-3.
What is the molecular formula of A3271/0139139?
The molecular formula of A3271/0139139 is C22H32F3NO4.
What is the molecular weight of A3271/0139139?
The molecular weight of A3271/0139139 is 431.23 g/mol.
Where can I buy A3271/0139139?
You can request a quote for A3271/0139139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3271/0139139?
Yes, KEHONG BIO provides custom synthesis services for A3271/0139139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.