Bionet1_002965
TL;DR: Bionet1_002965 (CAS 318237-99-9) is a chemical compound with molecular formula C18H14ClN3O3S and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-chlorophenyl)sulfanyl-4-(hydroxyiminomethyl)-1-phenylpyrazole-3-carboxylate
Also Known As: Bionet1_002965, methyl 5-(4-chlorophenyl)sulfanyl-4-(hydroxyiminomethyl)-1-phenylpyrazole-3-carboxylate, methyl 5-[(4-chlorophenyl)sulfanyl]-4-[(hydroxyimino)methyl]-1-phenyl-1H-pyrazole-3-carboxylate, METHYL 5-[(4-CHLOROPHENYL)SULFANYL]-4-[(HYDROXYIMINO)METHYL]-1-PHENYLPYRAZOLE-3-CARBOXYLATE
| Molecular Formula | C18H14ClN3O3S |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | 4.2716 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.04443 |
| Heavy Atoms | 26 |
| Complexity | 940.3201 |
Chemical Identifiers
| CAS Number | 318237-99-9 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=C1C=NO)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
Bionet1_002965 (CAS 318237-99-9), with molecular formula C18H14ClN3O3S and molecular weight 387.04 g/mol. IUPAC: methyl 5-(4-chlorophenyl)sulfanyl-4-(hydroxyiminomethyl)-1-phenylpyrazole-3-carboxylate.
Chemical Property Profile of Bionet1_002965
Property Insights of Bionet1_002965
The XLogP value of 4.2716 indicates that Bionet1_002965 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002965. Following Lipinski's Rule of Five, Bionet1_002965 has 1 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_002965?
The CAS number of Bionet1_002965 is 318237-99-9.
What is the molecular formula of Bionet1_002965?
The molecular formula of Bionet1_002965 is C18H14ClN3O3S.
What is the molecular weight of Bionet1_002965?
The molecular weight of Bionet1_002965 is 387.04 g/mol.
Where can I buy Bionet1_002965?
You can request a quote for Bionet1_002965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002965?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.