BAS 01224828
TL;DR: BAS 01224828 (CAS 313699-27-3) is a chemical compound with molecular formula C30H33N3O5S and molecular weight 547.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01224828, ethyl 2-({[2-(4-benzylpiperidin-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(4-benzylpiperidin-1-yl)-5-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-[2-(4-BENZYLPIPERIDIN-1-YL)-5-NITROBENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C30H33N3O5S |
|---|---|
| Molecular Weight | 547.21 g/mol |
| LogP | 6.4232 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.2141 |
| Heavy Atoms | 39 |
| Complexity | 1362.4174 |
Chemical Identifiers
| CAS Number | 313699-27-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
BAS 01224828 (CAS 313699-27-3), with molecular formula C30H33N3O5S and molecular weight 547.21 g/mol. IUPAC: ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01224828
Property Insights of BAS 01224828
The XLogP value of 6.4232 indicates that BAS 01224828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01224828. Following Lipinski's Rule of Five, BAS 01224828 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01224828?
The CAS number of BAS 01224828 is 313699-27-3.
What is the molecular formula of BAS 01224828?
The molecular formula of BAS 01224828 is C30H33N3O5S.
What is the molecular weight of BAS 01224828?
The molecular weight of BAS 01224828 is 547.21 g/mol.
Where can I buy BAS 01224828?
You can request a quote for BAS 01224828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01224828?
Yes, KEHONG BIO provides custom synthesis services for BAS 01224828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.