F1729-0157
TL;DR: F1729-0157 (CAS 415936-62-8) is a chemical compound with molecular formula C21H18BrNO5S and molecular weight 475.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1729-0157, ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(6-bromo-2-oxo-2H-chromene-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
| Molecular Formula | C21H18BrNO5S |
|---|---|
| Molecular Weight | 475.01 g/mol |
| LogP | 4.9248 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.0089 |
| Heavy Atoms | 29 |
| Complexity | 1179.7635 |
Chemical Identifiers
| CAS Number | 415936-62-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
F1729-0157 (CAS 415936-62-8), with molecular formula C21H18BrNO5S and molecular weight 475.01 g/mol. IUPAC: ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1729-0157
Property Insights of F1729-0157
The XLogP value of 4.9248 indicates that F1729-0157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for F1729-0157. Following Lipinski's Rule of Five, F1729-0157 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1729-0157?
The CAS number of F1729-0157 is 415936-62-8.
What is the molecular formula of F1729-0157?
The molecular formula of F1729-0157 is C21H18BrNO5S.
What is the molecular weight of F1729-0157?
The molecular weight of F1729-0157 is 475.01 g/mol.
Where can I buy F1729-0157?
You can request a quote for F1729-0157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1729-0157?
Yes, KEHONG BIO provides custom synthesis services for F1729-0157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.