![N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide structure](/static/products/831/831176-91-1.png)
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
TL;DR: N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide (CAS 831176-91-1) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide, N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-[(6-hydroxynaphthalen-1-yl)thiocarbamoyl]-3-nitro-4-pyrrolidin-1-yl-benzamide
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.1806 |
| Topological Polar Surface Area | 107.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1191.3445 |
Chemical Identifiers
| CAS Number | 831176-91-1 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC(=C4)O)[N+](=O)[O-] |
Product Overview
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide (CAS 831176-91-1), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Property Insights of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
The XLogP value of 4.1806 indicates that N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide. Following Lipinski's Rule of Five, N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide has 3 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 N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The CAS number of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is 831176-91-1.
What is the molecular formula of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular formula of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is C22H20N4O4S.
What is the molecular weight of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular weight of N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is 436.12 g/mol.
Where can I buy N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
You can request a quote for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.