boxylate
TL;DR: boxylate (CAS 445245-83-0) is a chemical compound with molecular formula C35H33F2N5O4S2 and molecular weight 689.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: boxylate, OXYLATE, ethyl (2Z)-2-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxybenzylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-car, (Z)-ethyl 2-(3-(((3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl)thio)methyl)-4-methoxybenzylidene)-5-(4-(dimethylamino)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ATE
| Molecular Formula | C35H33F2N5O4S2 |
|---|---|
| Molecular Weight | 689.19 g/mol |
| LogP | 5.6779 |
| Topological Polar Surface Area | 109.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 689.1942 |
| Heavy Atoms | 48 |
| Complexity | 2133.656 |
Chemical Identifiers
| CAS Number | 445245-83-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)/C(=C/C4=CC(=C(C=C4)OC)CSC5=C(C(=CC(=N5)C(F)F)C)C#N)/S2)C |
Product Overview
boxylate (CAS 445245-83-0), with molecular formula C35H33F2N5O4S2 and molecular weight 689.19 g/mol. IUPAC: ethyl (2Z)-2-[[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of boxylate
Property Insights of boxylate
The XLogP value of 5.6779 indicates that boxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.81 Ų falls within the moderate polarity range, balancing permeability and solubility for boxylate. Following Lipinski's Rule of Five, boxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of boxylate?
The CAS number of boxylate is 445245-83-0.
What is the molecular formula of boxylate?
The molecular formula of boxylate is C35H33F2N5O4S2.
What is the molecular weight of boxylate?
The molecular weight of boxylate is 689.19 g/mol.
Where can I buy boxylate?
You can request a quote for boxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for boxylate?
Yes, KEHONG BIO provides custom synthesis services for boxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.