4-Methoxy-thiobenzoesaeure-S-methylester
TL;DR: 4-Methoxy-thiobenzoesaeure-S-methylester (CAS 5925-72-4) is a chemical compound with molecular formula C30H29ClN6O5S and molecular weight 620.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 4-Methoxy-thiobenzoesaeure-S-methylester, 1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-[4-(2-Chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C30H29ClN6O5S |
|---|---|
| Molecular Weight | 620.16 g/mol |
| LogP | 5.27812 |
| Topological Polar Surface Area | 123.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 620.1609 |
| Heavy Atoms | 43 |
| Complexity | 1660.7645 |
Chemical Identifiers
| CAS Number | 5925-72-4 |
|---|---|
| SMILES | CC1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)C |
Product Overview
4-Methoxy-thiobenzoesaeure-S-methylester (CAS 5925-72-4), with molecular formula C30H29ClN6O5S and molecular weight 620.16 g/mol. IUPAC: 1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 4-Methoxy-thiobenzoesaeure-S-methylester
Property Insights of 4-Methoxy-thiobenzoesaeure-S-methylester
The XLogP value of 5.27812 indicates that 4-Methoxy-thiobenzoesaeure-S-methylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-thiobenzoesaeure-S-methylester. Following Lipinski's Rule of Five, 4-Methoxy-thiobenzoesaeure-S-methylester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methoxy-thiobenzoesaeure-S-methylester?
The CAS number of 4-Methoxy-thiobenzoesaeure-S-methylester is 5925-72-4.
What is the molecular formula of 4-Methoxy-thiobenzoesaeure-S-methylester?
The molecular formula of 4-Methoxy-thiobenzoesaeure-S-methylester is C30H29ClN6O5S.
What is the molecular weight of 4-Methoxy-thiobenzoesaeure-S-methylester?
The molecular weight of 4-Methoxy-thiobenzoesaeure-S-methylester is 620.16 g/mol.
Where can I buy 4-Methoxy-thiobenzoesaeure-S-methylester?
You can request a quote for 4-Methoxy-thiobenzoesaeure-S-methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-thiobenzoesaeure-S-methylester?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-thiobenzoesaeure-S-methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.