F0520-2996
TL;DR: F0520-2996 (CAS 393816-22-3) is a chemical compound with molecular formula C31H32N6O7S2 and molecular weight 664.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[4-(4-nitrophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0520-2996, ethyl 2-(2-((4-(4-nitrophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-[[4-(4-nitrophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(2-{[4-(4-NITROPHENYL)-5-[(2-PHENOXYACETAMIDO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}PROPANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C31H32N6O7S2 |
|---|---|
| Molecular Weight | 664.18 g/mol |
| LogP | 5.107 |
| Topological Polar Surface Area | 167.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 664.17737 |
| Heavy Atoms | 46 |
| Complexity | 1722.9673 |
Chemical Identifiers
| CAS Number | 393816-22-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)COC5=CC=CC=C5 |
Product Overview
F0520-2996 (CAS 393816-22-3), with molecular formula C31H32N6O7S2 and molecular weight 664.18 g/mol. IUPAC: ethyl 2-[2-[[4-(4-nitrophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0520-2996
Property Insights of F0520-2996
The XLogP value of 5.107 indicates that F0520-2996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.58 Ų indicates high polarity, suggesting F0520-2996 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-2996 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0520-2996?
The CAS number of F0520-2996 is 393816-22-3.
What is the molecular formula of F0520-2996?
The molecular formula of F0520-2996 is C31H32N6O7S2.
What is the molecular weight of F0520-2996?
The molecular weight of F0520-2996 is 664.18 g/mol.
Where can I buy F0520-2996?
You can request a quote for F0520-2996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-2996?
Yes, KEHONG BIO provides custom synthesis services for F0520-2996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.