![PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE structure](/static/products/6998/6998-19-2.webp)
PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
TL;DR: PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 6998-19-2) is a chemical compound with molecular formula C38H36N4O6S and molecular weight 676.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, propan-2-yl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Propan-2-yl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C38H36N4O6S |
|---|---|
| Molecular Weight | 676.24 g/mol |
| LogP | 5.6149 |
| Topological Polar Surface Area | 114.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.23553 |
| Heavy Atoms | 49 |
| Complexity | 2212.5237 |
Chemical Identifiers
| CAS Number | 6998-19-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)C(=O)OC)C6=CC=CC=C6 |
Product Overview
PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 6998-19-2), with molecular formula C38H36N4O6S and molecular weight 676.24 g/mol. IUPAC: propan-2-yl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
Property Insights of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
The XLogP value of 5.6149 indicates that PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.01 Ų falls within the moderate polarity range, balancing permeability and solubility for PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The CAS number of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 6998-19-2.
What is the molecular formula of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular formula of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is C38H36N4O6S.
What is the molecular weight of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular weight of PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 676.24 g/mol.
Where can I buy PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
You can request a quote for PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for PROPAN-2-YL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.