BAS 01224825
TL;DR: BAS 01224825 (CAS 313699-26-2) is a chemical compound with molecular formula C29H32N4O5S and molecular weight 548.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-benzylpiperazin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01224825, ethyl 2-[[2-(4-benzylpiperazin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[2-(4-benzylpiperazin-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({2-(4-benzyl-1-piperazinyl)-5-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(4-benzylpiperazin-1-yl)-5-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C29H32N4O5S |
|---|---|
| Molecular Weight | 548.21 g/mol |
| LogP | 5.2863 |
| Topological Polar Surface Area | 105.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.20935 |
| Heavy Atoms | 39 |
| Complexity | 1365.4976 |
Chemical Identifiers
| CAS Number | 313699-26-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
BAS 01224825 (CAS 313699-26-2), with molecular formula C29H32N4O5S and molecular weight 548.21 g/mol. IUPAC: ethyl 2-[[2-(4-benzylpiperazin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01224825
Property Insights of BAS 01224825
The XLogP value of 5.2863 indicates that BAS 01224825 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01224825. Following Lipinski's Rule of Five, BAS 01224825 has 1 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 BAS 01224825?
The CAS number of BAS 01224825 is 313699-26-2.
What is the molecular formula of BAS 01224825?
The molecular formula of BAS 01224825 is C29H32N4O5S.
What is the molecular weight of BAS 01224825?
The molecular weight of BAS 01224825 is 548.21 g/mol.
Where can I buy BAS 01224825?
You can request a quote for BAS 01224825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01224825?
Yes, KEHONG BIO provides custom synthesis services for BAS 01224825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.