BAS 01022556
TL;DR: BAS 01022556 (CAS 329059-84-9) is a chemical compound with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-nitrobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: BAS 01022556, AH-262/08459022, ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(4-nitrophenyl)carbonyl]amino}-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H16N2O6S |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 3.6043 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.0729 |
| Heavy Atoms | 27 |
| Complexity | 932.07367 |
Chemical Identifiers
| CAS Number | 329059-84-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 01022556 (CAS 329059-84-9), with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol. IUPAC: ethyl 2-[(4-nitrobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01022556
Property Insights of BAS 01022556
The XLogP value of 3.6043 indicates that BAS 01022556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01022556. Following Lipinski's Rule of Five, BAS 01022556 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 BAS 01022556?
The CAS number of BAS 01022556 is 329059-84-9.
What is the molecular formula of BAS 01022556?
The molecular formula of BAS 01022556 is C18H16N2O6S.
What is the molecular weight of BAS 01022556?
The molecular weight of BAS 01022556 is 388.07 g/mol.
Where can I buy BAS 01022556?
You can request a quote for BAS 01022556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01022556?
Yes, KEHONG BIO provides custom synthesis services for BAS 01022556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.