F1637-0045
TL;DR: F1637-0045 (CAS 956741-53-0) is a chemical compound with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1637-0045, ethyl 2-(2-benzyl-5-oxopyrazolidine-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(2-BENZYL-5-OXOPYRAZOLIDINE-3-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-{[(2-benzyl-5-oxopyrazolidin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H25N3O4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.0478 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1566 |
| Heavy Atoms | 30 |
| Complexity | 956.7923 |
Chemical Identifiers
| CAS Number | 956741-53-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4 |
Product Overview
F1637-0045 (CAS 956741-53-0), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: ethyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1637-0045
Property Insights of F1637-0045
The XLogP value of 3.0478 indicates that F1637-0045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1637-0045. Following Lipinski's Rule of Five, F1637-0045 has 2 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 F1637-0045?
The CAS number of F1637-0045 is 956741-53-0.
What is the molecular formula of F1637-0045?
The molecular formula of F1637-0045 is C22H25N3O4S.
What is the molecular weight of F1637-0045?
The molecular weight of F1637-0045 is 427.16 g/mol.
Where can I buy F1637-0045?
You can request a quote for F1637-0045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1637-0045?
Yes, KEHONG BIO provides custom synthesis services for F1637-0045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.