F0520-0996
TL;DR: F0520-0996 (CAS 393804-78-9) is a chemical compound with molecular formula C30H30N6O7S2 and molecular weight 650.16 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]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0520-0996, ethyl 2-(2-((4-(4-nitrophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-(2-{[4-(4-NITROPHENYL)-5-[(2-PHENOXYACETAMIDO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[[2-[[4-(4-nitrophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-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)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C30H30N6O7S2 |
|---|---|
| Molecular Weight | 650.16 g/mol |
| LogP | 4.7185 |
| Topological Polar Surface Area | 167.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 650.16174 |
| Heavy Atoms | 45 |
| Complexity | 1688.7218 |
Chemical Identifiers
| CAS Number | 393804-78-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)COC5=CC=CC=C5 |
Product Overview
F0520-0996 (CAS 393804-78-9), with molecular formula C30H30N6O7S2 and molecular weight 650.16 g/mol. IUPAC: ethyl 2-[[2-[[4-(4-nitrophenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0520-0996
Property Insights of F0520-0996
The XLogP value of 4.7185 indicates that F0520-0996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.58 Ų indicates high polarity, suggesting F0520-0996 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0996 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 F0520-0996?
The CAS number of F0520-0996 is 393804-78-9.
What is the molecular formula of F0520-0996?
The molecular formula of F0520-0996 is C30H30N6O7S2.
What is the molecular weight of F0520-0996?
The molecular weight of F0520-0996 is 650.16 g/mol.
Where can I buy F0520-0996?
You can request a quote for F0520-0996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0996?
Yes, KEHONG BIO provides custom synthesis services for F0520-0996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.