F0817-0345
TL;DR: F0817-0345 (CAS 397290-58-3) is a chemical compound with molecular formula C19H20BrNO3S and molecular weight 421.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-bromobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F0817-0345, AE-848/13008263, ethyl 2-[(3-bromobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-(3-BROMOBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, A2566/0109332
| Molecular Formula | C19H20BrNO3S |
|---|---|
| Molecular Weight | 421.03 g/mol |
| LogP | 5.2085 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.03473 |
| Heavy Atoms | 25 |
| Complexity | 799.96204 |
Chemical Identifiers
| CAS Number | 397290-58-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)Br |
Product Overview
F0817-0345 (CAS 397290-58-3), with molecular formula C19H20BrNO3S and molecular weight 421.03 g/mol. IUPAC: ethyl 2-[(3-bromobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0817-0345
Property Insights of F0817-0345
The XLogP value of 5.2085 indicates that F0817-0345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, F0817-0345 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0817-0345 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0817-0345?
The CAS number of F0817-0345 is 397290-58-3.
What is the molecular formula of F0817-0345?
The molecular formula of F0817-0345 is C19H20BrNO3S.
What is the molecular weight of F0817-0345?
The molecular weight of F0817-0345 is 421.03 g/mol.
Where can I buy F0817-0345?
You can request a quote for F0817-0345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0817-0345?
Yes, KEHONG BIO provides custom synthesis services for F0817-0345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.