Dnk 333
TL;DR: Dnk 333 (CAS 398507-81-8) is a chemical compound with molecular formula C27H25Cl2F6N3O3 and molecular weight 623.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
Also Known As: (+)-DNK-333, J1.642.619I, Benzamide, N-((1R,2E)-1-((3,4-dichlorophenyl)methyl)-4-(((3R)-hexahydro-2-oxo-1H-azepin-3-yl)amino)-4-oxo-2-butenyl)-N-methyl-3,5-bis(trifluoromethyl)-, N-((R,R)-(E)-1-(3,4-Dichlorobenzyl)-3-(2-oxoazepan-3-yl)carbamoyl)allyl-N-methyl-3,5-bis(trifluoromethyl)benzamide, N-[(E)-(R)-1-(3,4-Dichloro-benzyl)-3-((R)-2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
| Molecular Formula | C27H25Cl2F6N3O3 |
|---|---|
| Molecular Weight | 623.12 g/mol |
| LogP | 6.0554 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 623.11774 |
| Heavy Atoms | 41 |
| Complexity | 1298.1003 |
Chemical Identifiers
| CAS Number | 398507-81-8 |
|---|---|
| SMILES | CN([C@H](CC1=CC(=C(C=C1)Cl)Cl)/C=C/C(=O)N[C@@H]2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
Dnk 333 (CAS 398507-81-8), with molecular formula C27H25Cl2F6N3O3 and molecular weight 623.12 g/mol. IUPAC: N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.
Chemical Property Profile of Dnk 333
Property Insights of Dnk 333
The XLogP value of 6.0554 indicates that Dnk 333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Dnk 333. Following Lipinski's Rule of Five, Dnk 333 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dnk 333?
The CAS number of Dnk 333 is 398507-81-8.
What is the molecular formula of Dnk 333?
The molecular formula of Dnk 333 is C27H25Cl2F6N3O3.
What is the molecular weight of Dnk 333?
The molecular weight of Dnk 333 is 623.12 g/mol.
Where can I buy Dnk 333?
You can request a quote for Dnk 333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dnk 333?
Yes, KEHONG BIO provides custom synthesis services for Dnk 333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.