F0520-0101
TL;DR: F0520-0101 (CAS 393847-88-6) is a chemical compound with molecular formula C31H33N5O5S2 and molecular weight 619.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0520-0101, ethyl 2-(2-((4-benzyl-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{2-[(4-BENZYL-5-{[(4-METHOXYPHENYL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C31H33N5O5S2 |
|---|---|
| Molecular Weight | 619.19 g/mol |
| LogP | 5.1128 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 619.1923 |
| Heavy Atoms | 43 |
| Complexity | 1584.0426 |
Chemical Identifiers
| CAS Number | 393847-88-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=C(C=C5)OC |
Product Overview
F0520-0101 (CAS 393847-88-6), with molecular formula C31H33N5O5S2 and molecular weight 619.19 g/mol. IUPAC: ethyl 2-[[2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0520-0101
Property Insights of F0520-0101
The XLogP value of 5.1128 indicates that F0520-0101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.44 Ų falls within the moderate polarity range, balancing permeability and solubility for F0520-0101. Following Lipinski's Rule of Five, F0520-0101 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0520-0101?
The CAS number of F0520-0101 is 393847-88-6.
What is the molecular formula of F0520-0101?
The molecular formula of F0520-0101 is C31H33N5O5S2.
What is the molecular weight of F0520-0101?
The molecular weight of F0520-0101 is 619.19 g/mol.
Where can I buy F0520-0101?
You can request a quote for F0520-0101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0101?
Yes, KEHONG BIO provides custom synthesis services for F0520-0101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.