11H-931
TL;DR: 11H-931 (CAS 303153-03-9) is a chemical compound with molecular formula C20H27ClF3N5O3 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(tert-butylcarbamoylamino)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]prop-2-enoate
Also Known As: 11H-931, ethyl (E)-3-(tert-butylcarbamoylamino)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-enoate, ethyl (2E)-3-[(tert-butylcarbamoyl)amino]-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-enoate, ethyl 3-{[(tert-butylamino)carbonyl]amino}-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acrylate
| Molecular Formula | C20H27ClF3N5O3 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 3.378 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.17545 |
| Heavy Atoms | 32 |
| Complexity | 863.0168 |
Chemical Identifiers
| CAS Number | 303153-03-9 |
|---|---|
| SMILES | CCOC(=O)/C=C(\NC(=O)NC(C)(C)C)/N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
11H-931 (CAS 303153-03-9), with molecular formula C20H27ClF3N5O3 and molecular weight 477.18 g/mol. IUPAC: ethyl (E)-3-(tert-butylcarbamoylamino)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]prop-2-enoate.
Chemical Property Profile of 11H-931
Property Insights of 11H-931
The XLogP value of 3.378 indicates that 11H-931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-931. Following Lipinski's Rule of Five, 11H-931 has 2 hydrogen bond donor(s) and 6 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 11H-931?
The CAS number of 11H-931 is 303153-03-9.
What is the molecular formula of 11H-931?
The molecular formula of 11H-931 is C20H27ClF3N5O3.
What is the molecular weight of 11H-931?
The molecular weight of 11H-931 is 477.18 g/mol.
Where can I buy 11H-931?
You can request a quote for 11H-931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-931?
Yes, KEHONG BIO provides custom synthesis services for 11H-931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.