BAS 00781717
TL;DR: BAS 00781717 (CAS 312604-55-0) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00781717, AE-848/34294011, ethyl 2-[(2-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, F0016-0694, ETHYL 2-(2-NITROBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 3.574 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 858.71826 |
Chemical Identifiers
| CAS Number | 312604-55-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
BAS 00781717 (CAS 312604-55-0), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: ethyl 2-[(2-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00781717
Property Insights of BAS 00781717
The XLogP value of 3.574 indicates that BAS 00781717 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 00781717. Following Lipinski's Rule of Five, BAS 00781717 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 00781717?
The CAS number of BAS 00781717 is 312604-55-0.
What is the molecular formula of BAS 00781717?
The molecular formula of BAS 00781717 is C17H16N2O5S.
What is the molecular weight of BAS 00781717?
The molecular weight of BAS 00781717 is 360.08 g/mol.
Where can I buy BAS 00781717?
You can request a quote for BAS 00781717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781717?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.