2,3-Bis-brommethyl-1-methylen-cyclopropan
TL;DR: 2,3-Bis-brommethyl-1-methylen-cyclopropan (CAS 6998-18-1) is a chemical compound with molecular formula C42H36N4O5S and molecular weight 708.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: 2,3-Bis-brommethyl-1-methylen-cyclopropan, benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, BENZYL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(2,4,6-TRIMETHYLPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
| Molecular Formula | C42H36N4O5S |
|---|---|
| Molecular Weight | 708.24 g/mol |
| LogP | 6.54316 |
| Topological Polar Surface Area | 104.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 708.24066 |
| Heavy Atoms | 52 |
| Complexity | 2523.9602 |
Chemical Identifiers
| CAS Number | 6998-18-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7)C |
Product Overview
2,3-Bis-brommethyl-1-methylen-cyclopropan (CAS 6998-18-1), with molecular formula C42H36N4O5S and molecular weight 708.24 g/mol. IUPAC: benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of 2,3-Bis-brommethyl-1-methylen-cyclopropan
Property Insights of 2,3-Bis-brommethyl-1-methylen-cyclopropan
The XLogP value of 6.54316 indicates that 2,3-Bis-brommethyl-1-methylen-cyclopropan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis-brommethyl-1-methylen-cyclopropan. Following Lipinski's Rule of Five, 2,3-Bis-brommethyl-1-methylen-cyclopropan has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Bis-brommethyl-1-methylen-cyclopropan?
The CAS number of 2,3-Bis-brommethyl-1-methylen-cyclopropan is 6998-18-1.
What is the molecular formula of 2,3-Bis-brommethyl-1-methylen-cyclopropan?
The molecular formula of 2,3-Bis-brommethyl-1-methylen-cyclopropan is C42H36N4O5S.
What is the molecular weight of 2,3-Bis-brommethyl-1-methylen-cyclopropan?
The molecular weight of 2,3-Bis-brommethyl-1-methylen-cyclopropan is 708.24 g/mol.
Where can I buy 2,3-Bis-brommethyl-1-methylen-cyclopropan?
You can request a quote for 2,3-Bis-brommethyl-1-methylen-cyclopropan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis-brommethyl-1-methylen-cyclopropan?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis-brommethyl-1-methylen-cyclopropan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.