F0596-0045
TL;DR: F0596-0045 (CAS 851130-34-2) is a chemical compound with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: F0596-0045, ethyl 2-(2-(benzofuro[3,2-d]pyrimidin-4-ylthio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}propanamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C23H21N3O4S2 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 5.2222 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.09735 |
| Heavy Atoms | 32 |
| Complexity | 1344.02 |
Chemical Identifiers
| CAS Number | 851130-34-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NC=NC4=C3OC5=CC=CC=C54 |
Product Overview
F0596-0045 (CAS 851130-34-2), with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol. IUPAC: ethyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0596-0045
Property Insights of F0596-0045
The XLogP value of 5.2222 indicates that F0596-0045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for F0596-0045. Following Lipinski's Rule of Five, F0596-0045 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0596-0045?
The CAS number of F0596-0045 is 851130-34-2.
What is the molecular formula of F0596-0045?
The molecular formula of F0596-0045 is C23H21N3O4S2.
What is the molecular weight of F0596-0045?
The molecular weight of F0596-0045 is 467.10 g/mol.
Where can I buy F0596-0045?
You can request a quote for F0596-0045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0596-0045?
Yes, KEHONG BIO provides custom synthesis services for F0596-0045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.