BIM-0042864.P001
TL;DR: BIM-0042864.P001 (CAS 354532-46-0) is a chemical compound with molecular formula C21H15N5O5S and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Also Known As: BIM-0042864.P001, A2236/0094125, 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenylthieno[2,3-c]pyrazole-5-carboxamide, (E)-3-methyl-N'-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide, 3-methyl-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide
| Molecular Formula | C21H15N5O5S |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 3.79622 |
| Topological Polar Surface Area | 120.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.07938 |
| Heavy Atoms | 32 |
| Complexity | 1392.8485 |
Chemical Identifiers
| CAS Number | 354532-46-0 |
|---|---|
| SMILES | CC1=NN(C2=C1C=C(S2)C(=O)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5 |
Product Overview
BIM-0042864.P001 (CAS 354532-46-0), with molecular formula C21H15N5O5S and molecular weight 449.08 g/mol. IUPAC: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
Chemical Property Profile of BIM-0042864.P001
Property Insights of BIM-0042864.P001
The XLogP value of 3.79622 indicates that BIM-0042864.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042864.P001. Following Lipinski's Rule of Five, BIM-0042864.P001 has 1 hydrogen bond donor(s) and 8 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 BIM-0042864.P001?
The CAS number of BIM-0042864.P001 is 354532-46-0.
What is the molecular formula of BIM-0042864.P001?
The molecular formula of BIM-0042864.P001 is C21H15N5O5S.
What is the molecular weight of BIM-0042864.P001?
The molecular weight of BIM-0042864.P001 is 449.08 g/mol.
Where can I buy BIM-0042864.P001?
You can request a quote for BIM-0042864.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042864.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042864.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.