F0545-0066
TL;DR: F0545-0066 (CAS 681273-95-0) is a chemical compound with molecular formula C29H30N2O3S2 and molecular weight 518.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-benzylindol-3-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F0545-0066, ethyl 2-{2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-((1-benzyl-1H-indol-3-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-(1-benzylindol-3-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C29H30N2O3S2 |
|---|---|
| Molecular Weight | 518.17 g/mol |
| LogP | 6.9275 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.1698 |
| Heavy Atoms | 36 |
| Complexity | 1374.1909 |
Chemical Identifiers
| CAS Number | 681273-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5 |
Product Overview
F0545-0066 (CAS 681273-95-0), with molecular formula C29H30N2O3S2 and molecular weight 518.17 g/mol. IUPAC: ethyl 2-[[2-(1-benzylindol-3-yl)sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0545-0066
Property Insights of F0545-0066
The XLogP value of 6.9275 indicates that F0545-0066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for F0545-0066. Following Lipinski's Rule of Five, F0545-0066 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0066?
The CAS number of F0545-0066 is 681273-95-0.
What is the molecular formula of F0545-0066?
The molecular formula of F0545-0066 is C29H30N2O3S2.
What is the molecular weight of F0545-0066?
The molecular weight of F0545-0066 is 518.17 g/mol.
Where can I buy F0545-0066?
You can request a quote for F0545-0066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0066?
Yes, KEHONG BIO provides custom synthesis services for F0545-0066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.