methylammonium acetate
TL;DR: methylammonium acetate (CAS 6998-30-7) is a chemical compound with molecular formula C38H36N4O4S2 and molecular weight 676.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methylammonium acetate, propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl 4-methyl-8-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-(4-methylsulfanylphenyl)-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate, isopropyl 7-methyl-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenylpyrazol-4-yl}methylidene)-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C38H36N4O4S2 |
|---|---|
| Molecular Weight | 676.22 g/mol |
| LogP | 6.63462 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.2178 |
| Heavy Atoms | 48 |
| Complexity | 2210.9749 |
Chemical Identifiers
| CAS Number | 6998-30-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)SC)C6=CC=CC=C6)OCC=C |
Product Overview
methylammonium acetate (CAS 6998-30-7), with molecular formula C38H36N4O4S2 and molecular weight 676.22 g/mol. IUPAC: propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of methylammonium acetate
Property Insights of methylammonium acetate
The XLogP value of 6.63462 indicates that methylammonium acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methylammonium acetate. Following Lipinski's Rule of Five, methylammonium acetate 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 methylammonium acetate?
The CAS number of methylammonium acetate is 6998-30-7.
What is the molecular formula of methylammonium acetate?
The molecular formula of methylammonium acetate is C38H36N4O4S2.
What is the molecular weight of methylammonium acetate?
The molecular weight of methylammonium acetate is 676.22 g/mol.
Where can I buy methylammonium acetate?
You can request a quote for methylammonium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methylammonium acetate?
Yes, KEHONG BIO provides custom synthesis services for methylammonium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.