![N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide structure](/static/products/527/527700-72-7.png)
N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide
TL;DR: N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide (CAS 527700-72-7) is a chemical compound with molecular formula C22H24N4O5S and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide
Also Known As: N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide, N-[2-methoxy-4-[3-(3-nitrophenyl)prop-2-enoylthiocarbamoylamino]phenyl]pentanamide, N-[2-methoxy-4-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)phenyl]pentanamide
| Molecular Formula | C22H24N4O5S |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 4.2585 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.14673 |
| Heavy Atoms | 32 |
| Complexity | 1038.7313 |
Chemical Identifiers
| CAS Number | 527700-72-7 |
|---|---|
| SMILES | CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])OC |
Product Overview
N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide (CAS 527700-72-7), with molecular formula C22H24N4O5S and molecular weight 456.15 g/mol. IUPAC: N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide.
Chemical Property Profile of N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide
Property Insights of N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide
The XLogP value of 4.2585 indicates that N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide. Following Lipinski's Rule of Five, N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide 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-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide?
The CAS number of N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide is 527700-72-7.
What is the molecular formula of N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide?
The molecular formula of N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide is C22H24N4O5S.
What is the molecular weight of N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide?
The molecular weight of N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide is 456.15 g/mol.
Where can I buy N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide?
You can request a quote for N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.