F0520-1671
TL;DR: F0520-1671 (CAS 393808-38-3) is a chemical compound with molecular formula C29H27FN6O6S2 and molecular weight 638.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0520-1671, ethyl 2-(2-((5-((2-fluorobenzamido)methyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{2-[(5-{[(2-FLUOROPHENYL)FORMAMIDO]METHYL}-4-(4-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C29H27FN6O6S2 |
|---|---|
| Molecular Weight | 638.14 g/mol |
| LogP | 5.0924 |
| Topological Polar Surface Area | 158.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 638.1417 |
| Heavy Atoms | 44 |
| Complexity | 1721.5883 |
Chemical Identifiers
| CAS Number | 393808-38-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=CC=C5F |
Product Overview
F0520-1671 (CAS 393808-38-3), with molecular formula C29H27FN6O6S2 and molecular weight 638.14 g/mol. IUPAC: ethyl 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0520-1671
Property Insights of F0520-1671
The XLogP value of 5.0924 indicates that F0520-1671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.35 Ų indicates high polarity, suggesting F0520-1671 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-1671 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0520-1671?
The CAS number of F0520-1671 is 393808-38-3.
What is the molecular formula of F0520-1671?
The molecular formula of F0520-1671 is C29H27FN6O6S2.
What is the molecular weight of F0520-1671?
The molecular weight of F0520-1671 is 638.14 g/mol.
Where can I buy F0520-1671?
You can request a quote for F0520-1671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-1671?
Yes, KEHONG BIO provides custom synthesis services for F0520-1671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.