F0596-0046
TL;DR: F0596-0046 (CAS 851130-35-3) is a chemical compound with molecular formula C24H23N3O4S2 and molecular weight 481.11 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)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F0596-0046, ethyl 2-(2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[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}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C24H23N3O4S2 |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 5.6139 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.113 |
| Heavy Atoms | 33 |
| Complexity | 1344.4879 |
Chemical Identifiers
| CAS Number | 851130-35-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54 |
Product Overview
F0596-0046 (CAS 851130-35-3), with molecular formula C24H23N3O4S2 and molecular weight 481.11 g/mol. IUPAC: ethyl 2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0596-0046
Property Insights of F0596-0046
The XLogP value of 5.6139 indicates that F0596-0046 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 F0596-0046. Following Lipinski's Rule of Five, F0596-0046 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 F0596-0046?
The CAS number of F0596-0046 is 851130-35-3.
What is the molecular formula of F0596-0046?
The molecular formula of F0596-0046 is C24H23N3O4S2.
What is the molecular weight of F0596-0046?
The molecular weight of F0596-0046 is 481.11 g/mol.
Where can I buy F0596-0046?
You can request a quote for F0596-0046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0596-0046?
Yes, KEHONG BIO provides custom synthesis services for F0596-0046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.