8B-055
TL;DR: 8B-055 (CAS 321574-08-7) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate
Also Known As: 8B-055, methyl 3-{[(5-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}-2-thiophenecarboxylate, methyl 3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate, methyl 3-(5-methyl-1-phenyl-1H-pyrazole-4-amido)thiophene-2-carboxylate, methyl3-(5-methyl-1-phenyl-1H-pyrazole-4-amido)thiophene-2-carboxylate
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.28112 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 883.63513 |
Chemical Identifiers
| CAS Number | 321574-08-7 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=C(SC=C3)C(=O)OC |
Product Overview
8B-055 (CAS 321574-08-7), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: methyl 3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of 8B-055
Property Insights of 8B-055
The XLogP value of 3.28112 indicates that 8B-055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 8B-055. Following Lipinski's Rule of Five, 8B-055 has 1 hydrogen bond donor(s) and 5 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 8B-055?
The CAS number of 8B-055 is 321574-08-7.
What is the molecular formula of 8B-055?
The molecular formula of 8B-055 is C17H15N3O3S.
What is the molecular weight of 8B-055?
The molecular weight of 8B-055 is 341.08 g/mol.
Where can I buy 8B-055?
You can request a quote for 8B-055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8B-055?
Yes, KEHONG BIO provides custom synthesis services for 8B-055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.