8B-080
TL;DR: 8B-080 (CAS 339020-81-4) is a chemical compound with molecular formula C10H9N3O3S and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate
Also Known As: 8B-080, methyl 3-{[(5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}-2-thiophenecarboxylate, methyl 3-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate, methyl 3-{[(5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}thiophene-2-carboxylate, Methyl 3-[(3-oxo-2H-pyrazol-4-ylidene)methylamino]thiophene-2-carboxylate
| Molecular Formula | C10H9N3O3S |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 1.3017 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.03647 |
| Heavy Atoms | 17 |
| Complexity | 608.0948 |
Chemical Identifiers
| CAS Number | 339020-81-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N=CC2=CNNC2=O |
Product Overview
8B-080 (CAS 339020-81-4), with molecular formula C10H9N3O3S and molecular weight 251.04 g/mol. IUPAC: methyl 3-[(3-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate.
Chemical Property Profile of 8B-080
Property Insights of 8B-080
The XLogP value of 1.3017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8B-080. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 8B-080. Following Lipinski's Rule of Five, 8B-080 has 2 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-080?
The CAS number of 8B-080 is 339020-81-4.
What is the molecular formula of 8B-080?
The molecular formula of 8B-080 is C10H9N3O3S.
What is the molecular weight of 8B-080?
The molecular weight of 8B-080 is 251.04 g/mol.
Where can I buy 8B-080?
You can request a quote for 8B-080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8B-080?
Yes, KEHONG BIO provides custom synthesis services for 8B-080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.