BAS 00561083
TL;DR: BAS 00561083 (CAS 302582-85-0) is a chemical compound with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00561083, ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(4-chloro-3-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(4-chloro-3-nitrobenzene)amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(4-CHLORO-3-NITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H17ClN2O5S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 4.6175 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.05466 |
| Heavy Atoms | 27 |
| Complexity | 924.71606 |
Chemical Identifiers
| CAS Number | 302582-85-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
BAS 00561083 (CAS 302582-85-0), with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol. IUPAC: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00561083
Property Insights of BAS 00561083
The XLogP value of 4.6175 indicates that BAS 00561083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00561083. Following Lipinski's Rule of Five, BAS 00561083 has 1 hydrogen bond donor(s) and 6 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 00561083?
The CAS number of BAS 00561083 is 302582-85-0.
What is the molecular formula of BAS 00561083?
The molecular formula of BAS 00561083 is C18H17ClN2O5S.
What is the molecular weight of BAS 00561083?
The molecular weight of BAS 00561083 is 408.05 g/mol.
Where can I buy BAS 00561083?
You can request a quote for BAS 00561083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00561083?
Yes, KEHONG BIO provides custom synthesis services for BAS 00561083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.