Burapitant
TL;DR: Burapitant (CAS 537034-22-3) is a chemical compound with molecular formula C31H35Cl2F6N3O3 and molecular weight 681.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
Also Known As: Burapitant, 1-[2-[(2R)-4-[2-[3,5-Bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-alpha,alpha-dimethyl-4-piperidineacetamide, 2-[1-[2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-piperidyl]-2-methyl-propanamide, 2-[1-[2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
| Molecular Formula | C31H35Cl2F6N3O3 |
|---|---|
| Molecular Weight | 681.20 g/mol |
| LogP | 6.9414 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 681.196 |
| Heavy Atoms | 45 |
| Complexity | 1377.6665 |
Chemical Identifiers
| CAS Number | 537034-22-3 |
|---|---|
| SMILES | CC(C)(C1CCN(CC1)CCC2(CN(CCO2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl)C(=O)N |
Product Overview
Burapitant (CAS 537034-22-3), with molecular formula C31H35Cl2F6N3O3 and molecular weight 681.20 g/mol. IUPAC: 2-[1-[2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide.
Chemical Property Profile of Burapitant
Property Insights of Burapitant
The XLogP value of 6.9414 indicates that Burapitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Burapitant. Following Lipinski's Rule of Five, Burapitant has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Burapitant?
The CAS number of Burapitant is 537034-22-3.
What is the molecular formula of Burapitant?
The molecular formula of Burapitant is C31H35Cl2F6N3O3.
What is the molecular weight of Burapitant?
The molecular weight of Burapitant is 681.20 g/mol.
Where can I buy Burapitant?
You can request a quote for Burapitant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Burapitant?
Yes, KEHONG BIO provides custom synthesis services for Burapitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.