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N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide
TL;DR: N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide (CAS 303988-17-2) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-3-nitro-N-prop-2-enylbenzamide
Also Known As: N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide, 4-[(4-methylphenyl)sulfanyl]-3-nitro-N-(prop-2-en-1-yl)benzamide, 4-(4-methylphenyl)sulfanyl-3-nitro-N-prop-2-enylbenzamide, N-allyl-3-nitro-4-(p-tolylsulfanyl)benzamide, 4-[(4-Methylphenyl)thio]-3-nitro-N-2-propen-1-ylbenzamide
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.97022 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 742.0037 |
Chemical Identifiers
| CAS Number | 303988-17-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC=C)[N+](=O)[O-] |
Product Overview
N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide (CAS 303988-17-2), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-3-nitro-N-prop-2-enylbenzamide.
Chemical Property Profile of N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide
Property Insights of N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide
The XLogP value of 3.97022 indicates that N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide. Following Lipinski's Rule of Five, N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide has 1 hydrogen bond donor(s) and 4 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-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide?
The CAS number of N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide is 303988-17-2.
What is the molecular formula of N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide?
The molecular formula of N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide is C17H16N2O3S.
What is the molecular weight of N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide?
The molecular weight of N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide is 328.09 g/mol.
Where can I buy N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide?
You can request a quote for N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-4-[(4-methylphenyl)sulfanyl]-3-nitrobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.