BIM-0005838.P001
TL;DR: BIM-0005838.P001 (CAS 6191-79-3) is a chemical compound with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate
Also Known As: BIM-0005838.P001, 2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2-thiophenecarboxylate, 2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl thiophene-2-carboxylate, [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate, 2-METHOXY-4-{[(4E)-3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}PHENYL THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C23H18N2O4S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 4.782 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.09872 |
| Heavy Atoms | 30 |
| Complexity | 1151.2109 |
Chemical Identifiers
| CAS Number | 6191-79-3 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=CC=C4 |
Product Overview
BIM-0005838.P001 (CAS 6191-79-3), with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol. IUPAC: [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate.
Chemical Property Profile of BIM-0005838.P001
Property Insights of BIM-0005838.P001
The XLogP value of 4.782 indicates that BIM-0005838.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0005838.P001. Following Lipinski's Rule of Five, BIM-0005838.P001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0005838.P001?
The CAS number of BIM-0005838.P001 is 6191-79-3.
What is the molecular formula of BIM-0005838.P001?
The molecular formula of BIM-0005838.P001 is C23H18N2O4S.
What is the molecular weight of BIM-0005838.P001?
The molecular weight of BIM-0005838.P001 is 418.10 g/mol.
Where can I buy BIM-0005838.P001?
You can request a quote for BIM-0005838.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0005838.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0005838.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.