BAS 01513858
TL;DR: BAS 01513858 (CAS 309728-02-7) is a chemical compound with molecular formula C27H30N4O5S and molecular weight 522.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-benzylpiperazin-1-yl)-3-nitrobenzoyl]amino]-5-ethylthiophene-3-carboxylate
Also Known As: BAS 01513858, A2235/0094053, ethyl 2-[[4-(4-benzylpiperazin-1-yl)-3-nitrobenzoyl]amino]-5-ethylthiophene-3-carboxylate, ethyl 2-(4-(4-benzylpiperazin-1-yl)-3-nitrobenzamido)-5-ethylthiophene-3-carboxylate, ethyl 2-({[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]carbonyl}amino)-5-ethylthiophene-3-carboxylate
| Molecular Formula | C27H30N4O5S |
|---|---|
| Molecular Weight | 522.19 g/mol |
| LogP | 4.9699 |
| Topological Polar Surface Area | 105.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.19366 |
| Heavy Atoms | 37 |
| Complexity | 1269.0558 |
Chemical Identifiers
| CAS Number | 309728-02-7 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)OCC |
Product Overview
BAS 01513858 (CAS 309728-02-7), with molecular formula C27H30N4O5S and molecular weight 522.19 g/mol. IUPAC: ethyl 2-[[4-(4-benzylpiperazin-1-yl)-3-nitrobenzoyl]amino]-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of BAS 01513858
Property Insights of BAS 01513858
The XLogP value of 4.9699 indicates that BAS 01513858 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 01513858. Following Lipinski's Rule of Five, BAS 01513858 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 01513858?
The CAS number of BAS 01513858 is 309728-02-7.
What is the molecular formula of BAS 01513858?
The molecular formula of BAS 01513858 is C27H30N4O5S.
What is the molecular weight of BAS 01513858?
The molecular weight of BAS 01513858 is 522.19 g/mol.
Where can I buy BAS 01513858?
You can request a quote for BAS 01513858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01513858?
Yes, KEHONG BIO provides custom synthesis services for BAS 01513858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.