F1439-0031
TL;DR: F1439-0031 (CAS 620570-68-5) is a chemical compound with molecular formula C20H15ClFN3O2S and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-fluoro-1-benzothiophene-2-carboxamide
Also Known As: F1439-0031, 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-fluoro-1-benzothiophene-2-carboxamide, 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-fluoro-1-benzothiophene-2-carboxamide, 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-fluorobenzo[b]thiophene-2-carboxamide, 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-fluoro-benzothiophene-2-carboxamide
| Molecular Formula | C20H15ClFN3O2S |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 4.74392 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.05576 |
| Heavy Atoms | 28 |
| Complexity | 1274.3309 |
Chemical Identifiers
| CAS Number | 620570-68-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl |
Product Overview
F1439-0031 (CAS 620570-68-5), with molecular formula C20H15ClFN3O2S and molecular weight 415.06 g/mol. IUPAC: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of F1439-0031
Property Insights of F1439-0031
The XLogP value of 4.74392 indicates that F1439-0031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, F1439-0031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1439-0031 has 1 hydrogen bond donor(s) and 3 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 F1439-0031?
The CAS number of F1439-0031 is 620570-68-5.
What is the molecular formula of F1439-0031?
The molecular formula of F1439-0031 is C20H15ClFN3O2S.
What is the molecular weight of F1439-0031?
The molecular weight of F1439-0031 is 415.06 g/mol.
Where can I buy F1439-0031?
You can request a quote for F1439-0031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1439-0031?
Yes, KEHONG BIO provides custom synthesis services for F1439-0031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.