N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide
TL;DR: N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide (CAS 477857-68-4) is a chemical compound with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide
Also Known As: Bionet1_004121, DivK1c_002617, CDS1_001577, 11P-502S, N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide
| Molecular Formula | C17H13N3O4S |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 3.19272 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.06268 |
| Heavy Atoms | 25 |
| Complexity | 979.22656 |
Chemical Identifiers
| CAS Number | 477857-68-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide (CAS 477857-68-4), with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol. IUPAC: N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide.
Chemical Property Profile of N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide
Property Insights of N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide
The XLogP value of 3.19272 indicates that N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide. Following Lipinski's Rule of Five, N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide 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 N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide?
The CAS number of N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide is 477857-68-4.
What is the molecular formula of N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide?
The molecular formula of N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide is C17H13N3O4S.
What is the molecular weight of N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide?
The molecular weight of N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide is 355.06 g/mol.
Where can I buy N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide?
You can request a quote for N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(4-methylbenzoyl)-5-nitro-1-benzothiophene-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.