5-bromobenzofuran-3-one
TL;DR: 5-bromobenzofuran-3-one (CAS 885102-33-0) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]benzoic acid
Also Known As: 5-bromobenzofuran-3-one, N-Biotinyl-4-aminobenzoic acid, 4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]benzoic acid, 4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]benzoic acid, 4-[5-[(4S)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]benzoic acid
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 2.0491 |
| Topological Polar Surface Area | 107.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 664.36176 |
Chemical Identifiers
| CAS Number | 885102-33-0 |
|---|---|
| SMILES | C1C2C(C(S1)CCCCC(=O)NC3=CC=C(C=C3)C(=O)O)NC(=O)N2 |
Product Overview
5-bromobenzofuran-3-one (CAS 885102-33-0), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: 4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]benzoic acid.
Chemical Property Profile of 5-bromobenzofuran-3-one
Property Insights of 5-bromobenzofuran-3-one
The XLogP value of 2.0491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromobenzofuran-3-one. The TPSA of 107.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromobenzofuran-3-one. Following Lipinski's Rule of Five, 5-bromobenzofuran-3-one has 4 hydrogen bond donor(s) and 4 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 5-bromobenzofuran-3-one?
The CAS number of 5-bromobenzofuran-3-one is 885102-33-0.
What is the molecular formula of 5-bromobenzofuran-3-one?
The molecular formula of 5-bromobenzofuran-3-one is C17H21N3O4S.
What is the molecular weight of 5-bromobenzofuran-3-one?
The molecular weight of 5-bromobenzofuran-3-one is 363.13 g/mol.
Where can I buy 5-bromobenzofuran-3-one?
You can request a quote for 5-bromobenzofuran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromobenzofuran-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-bromobenzofuran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.