F0016-0590
TL;DR: F0016-0590 (CAS 321967-75-3) is a chemical compound with molecular formula C22H26N2O5S2 and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0016-0590, ethyl 2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-[4-(PYRROLIDINE-1-SULFONYL)BENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[4-(pyrrolidinylsulfonyl)phenyl]carbonylamino}-4,5,6,7-tetrahydrobenz o[b]thiophene-3-carboxylate
| Molecular Formula | C22H26N2O5S2 |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 3.8404 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.12833 |
| Heavy Atoms | 31 |
| Complexity | 1083.8497 |
Chemical Identifiers
| CAS Number | 321967-75-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
F0016-0590 (CAS 321967-75-3), with molecular formula C22H26N2O5S2 and molecular weight 462.13 g/mol. IUPAC: ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0016-0590
Property Insights of F0016-0590
The XLogP value of 3.8404 indicates that F0016-0590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0016-0590. Following Lipinski's Rule of Five, F0016-0590 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 F0016-0590?
The CAS number of F0016-0590 is 321967-75-3.
What is the molecular formula of F0016-0590?
The molecular formula of F0016-0590 is C22H26N2O5S2.
What is the molecular weight of F0016-0590?
The molecular weight of F0016-0590 is 462.13 g/mol.
Where can I buy F0016-0590?
You can request a quote for F0016-0590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0016-0590?
Yes, KEHONG BIO provides custom synthesis services for F0016-0590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.