NUG7541QVZ
TL;DR: NUG7541QVZ (CAS 280750-31-4) is a chemical compound with molecular formula C23H23ClN2O4S and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]prop-2-en-1-one
Also Known As: J1.538.413A, J1.668.414G, 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-, 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-, (2E)-, Piperazine, 1-acetyl-4-((2E)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-1-oxo-2-propenyl)-
| Molecular Formula | C23H23ClN2O4S |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 3.9663 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.10672 |
| Heavy Atoms | 31 |
| Complexity | 1018.6312 |
Chemical Identifiers
| CAS Number | 280750-31-4 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCO4)Cl |
Product Overview
NUG7541QVZ (CAS 280750-31-4), with molecular formula C23H23ClN2O4S and molecular weight 458.11 g/mol. IUPAC: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]prop-2-en-1-one.
Chemical Property Profile of NUG7541QVZ
Property Insights of NUG7541QVZ
The XLogP value of 3.9663 indicates that NUG7541QVZ is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, NUG7541QVZ exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NUG7541QVZ has 0 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 NUG7541QVZ?
The CAS number of NUG7541QVZ is 280750-31-4.
What is the molecular formula of NUG7541QVZ?
The molecular formula of NUG7541QVZ is C23H23ClN2O4S.
What is the molecular weight of NUG7541QVZ?
The molecular weight of NUG7541QVZ is 458.11 g/mol.
Where can I buy NUG7541QVZ?
You can request a quote for NUG7541QVZ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NUG7541QVZ?
Yes, KEHONG BIO provides custom synthesis services for NUG7541QVZ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.