Bionet1_000536
TL;DR: Bionet1_000536 (CAS 321553-57-5) is a chemical compound with molecular formula C15H14F3N3O3S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(methoxyiminomethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylbenzoate
Also Known As: Bionet1_000536, methyl 2-{[4-[(methoxyimino)methyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate, methyl 2-[4-(methoxyiminomethyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate, METHYL 2-({4-[(METHOXYIMINO)METHYL]-2-METHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL}SULFANYL)BENZOATE, Methyl 2-[4-[(E)-methoxyiminomethyl]-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate
| Molecular Formula | C15H14F3N3O3S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 3.357 |
| Topological Polar Surface Area | 65.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0708 |
| Heavy Atoms | 25 |
| Complexity | 803.04974 |
Chemical Identifiers
| CAS Number | 321553-57-5 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=NOC)SC2=CC=CC=C2C(=O)OC |
Product Overview
Bionet1_000536 (CAS 321553-57-5), with molecular formula C15H14F3N3O3S and molecular weight 373.07 g/mol. IUPAC: methyl 2-[4-(methoxyiminomethyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylbenzoate.
Chemical Property Profile of Bionet1_000536
Property Insights of Bionet1_000536
The XLogP value of 3.357 indicates that Bionet1_000536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000536. Following Lipinski's Rule of Five, Bionet1_000536 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 Bionet1_000536?
The CAS number of Bionet1_000536 is 321553-57-5.
What is the molecular formula of Bionet1_000536?
The molecular formula of Bionet1_000536 is C15H14F3N3O3S.
What is the molecular weight of Bionet1_000536?
The molecular weight of Bionet1_000536 is 373.07 g/mol.
Where can I buy Bionet1_000536?
You can request a quote for Bionet1_000536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000536?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.