F0520-0098
TL;DR: F0520-0098 (CAS 393847-86-4) 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-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F0520-0098, ethyl 2-(2-((5-((4-methoxybenzamido)methyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-{2-[(5-{[(4-METHOXYPHENYL)FORMAMIDO]METHYL}-4-(4-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C31H32N6O7S2 |
|---|---|
| Molecular Weight | 664.18 g/mol |
| LogP | 5.352 |
| Topological Polar Surface Area | 167.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 664.17737 |
| Heavy Atoms | 46 |
| Complexity | 1735.0808 |
Chemical Identifiers
| CAS Number | 393847-86-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=C(C=C5)OC |
Product Overview
F0520-0098 (CAS 393847-86-4), with molecular formula C31H32N6O7S2 and molecular weight 664.18 g/mol. IUPAC: ethyl 2-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0520-0098
Property Insights of F0520-0098
The XLogP value of 5.352 indicates that F0520-0098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.58 Ų indicates high polarity, suggesting F0520-0098 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0098 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 F0520-0098?
The CAS number of F0520-0098 is 393847-86-4.
What is the molecular formula of F0520-0098?
The molecular formula of F0520-0098 is C31H32N6O7S2.
What is the molecular weight of F0520-0098?
The molecular weight of F0520-0098 is 664.18 g/mol.
Where can I buy F0520-0098?
You can request a quote for F0520-0098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0098?
Yes, KEHONG BIO provides custom synthesis services for F0520-0098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.