2,4-Dihydroxy-benzaldehyd-oxim
TL;DR: 2,4-Dihydroxy-benzaldehyd-oxim (CAS 5399-77-9) is a chemical compound with molecular formula C22H24ClN5O2S and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Also Known As: 2,4-Dihydroxy-benzaldehyd-oxim, N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide, N-[3-Chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H24ClN5O2S |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 4.18102 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1339 |
| Heavy Atoms | 31 |
| Complexity | 1065.5598 |
Chemical Identifiers
| CAS Number | 5399-77-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)C |
Product Overview
2,4-Dihydroxy-benzaldehyd-oxim (CAS 5399-77-9), with molecular formula C22H24ClN5O2S and molecular weight 457.13 g/mol. IUPAC: N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of 2,4-Dihydroxy-benzaldehyd-oxim
Property Insights of 2,4-Dihydroxy-benzaldehyd-oxim
The XLogP value of 4.18102 indicates that 2,4-Dihydroxy-benzaldehyd-oxim is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydroxy-benzaldehyd-oxim. Following Lipinski's Rule of Five, 2,4-Dihydroxy-benzaldehyd-oxim has 1 hydrogen bond donor(s) and 7 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 2,4-Dihydroxy-benzaldehyd-oxim?
The CAS number of 2,4-Dihydroxy-benzaldehyd-oxim is 5399-77-9.
What is the molecular formula of 2,4-Dihydroxy-benzaldehyd-oxim?
The molecular formula of 2,4-Dihydroxy-benzaldehyd-oxim is C22H24ClN5O2S.
What is the molecular weight of 2,4-Dihydroxy-benzaldehyd-oxim?
The molecular weight of 2,4-Dihydroxy-benzaldehyd-oxim is 457.13 g/mol.
Where can I buy 2,4-Dihydroxy-benzaldehyd-oxim?
You can request a quote for 2,4-Dihydroxy-benzaldehyd-oxim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydroxy-benzaldehyd-oxim?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydroxy-benzaldehyd-oxim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.