9B-119
TL;DR: 9B-119 (CAS 338975-67-0) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate
Also Known As: 9B-119, methyl 3-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}-2-thiophenecarboxylate, methyl 3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate, Methyl 3-[(3-oxo-5-phenyl-2H-pyrazol-4-ylidene)methylamino]thiophene-2-carboxylate, methyl 3-[(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methylamino]thiophene-2-carboxylate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.9687 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 906.05585 |
Chemical Identifiers
| CAS Number | 338975-67-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N=CC2=C(NNC2=O)C3=CC=CC=C3 |
Product Overview
9B-119 (CAS 338975-67-0), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: methyl 3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate.
Chemical Property Profile of 9B-119
Property Insights of 9B-119
The XLogP value of 2.9687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9B-119. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 9B-119. Following Lipinski's Rule of Five, 9B-119 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 9B-119?
The CAS number of 9B-119 is 338975-67-0.
What is the molecular formula of 9B-119?
The molecular formula of 9B-119 is C16H13N3O3S.
What is the molecular weight of 9B-119?
The molecular weight of 9B-119 is 327.07 g/mol.
Where can I buy 9B-119?
You can request a quote for 9B-119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9B-119?
Yes, KEHONG BIO provides custom synthesis services for 9B-119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.