BAS 00463791
TL;DR: BAS 00463791 (CAS 313233-80-6) 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-[(2-chloro-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00463791, ethyl 2-(2-chloro-5-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, F0016-0501, ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-chloro-5-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-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 | 313233-80-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
BAS 00463791 (CAS 313233-80-6), with molecular formula C18H17ClN2O5S and molecular weight 408.05 g/mol. IUPAC: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00463791
Property Insights of BAS 00463791
The XLogP value of 4.6175 indicates that BAS 00463791 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 00463791. Following Lipinski's Rule of Five, BAS 00463791 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 00463791?
The CAS number of BAS 00463791 is 313233-80-6.
What is the molecular formula of BAS 00463791?
The molecular formula of BAS 00463791 is C18H17ClN2O5S.
What is the molecular weight of BAS 00463791?
The molecular weight of BAS 00463791 is 408.05 g/mol.
Where can I buy BAS 00463791?
You can request a quote for BAS 00463791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00463791?
Yes, KEHONG BIO provides custom synthesis services for BAS 00463791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.