![N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide structure](/static/products/6717/671793-91-2.webp)
N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide
TL;DR: N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide (CAS 671793-91-2) is a chemical compound with molecular formula C19H25N3O4S2 and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide
Also Known As: N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide, N-[({2-allyl-2-hydroxy-1-[2-(methylsulfanyl)ethyl]-4-penten-1-yl}amino)carbonothioyl]-3-nitrobenzamide, N-{[4-hydroxy-1-(methylsulfanyl)-4-(prop-2-en-1-yl)hept-6-en-3-yl]carbamothioyl}-3-nitrobenzamide
| Molecular Formula | C19H25N3O4S2 |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 3.2041 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 423.12866 |
| Heavy Atoms | 28 |
| Complexity | 729.64386 |
Chemical Identifiers
| CAS Number | 671793-91-2 |
|---|---|
| SMILES | CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide (CAS 671793-91-2), with molecular formula C19H25N3O4S2 and molecular weight 423.13 g/mol. IUPAC: N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide
Property Insights of N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide
The XLogP value of 3.2041 indicates that N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide 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-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide?
The CAS number of N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide is 671793-91-2.
What is the molecular formula of N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide?
The molecular formula of N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide is C19H25N3O4S2.
What is the molecular weight of N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide?
The molecular weight of N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide is 423.13 g/mol.
Where can I buy N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide?
You can request a quote for N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.