CID 94622
TL;DR: CID 94622 (CAS 67363-72-8) is a chemical compound with molecular formula C6H4BrNO3 and molecular weight 216.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromoethenyl)-5-nitrofuran
Also Known As: 2-(2-Bromoethenyl)-5-nitrofuran, 2-[2-bromovinyl]-5-nitrofuran, 2-(2-bromoethenyl)-5-nitro-furan
| Molecular Formula | C6H4BrNO3 |
|---|---|
| Molecular Weight | 216.94 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.93745 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 67363-72-8 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=CBr |
| InChIKey | DWHDJUJHFAUWFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 94622 (CAS 67363-72-8), with molecular formula C6H4BrNO3 and molecular weight 216.94 g/mol. IUPAC: 2-(2-bromoethenyl)-5-nitrofuran.
Chemical Property Profile of CID 94622
Property Insights of CID 94622
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 94622. With a topological polar surface area (TPSA) of 59.0 Ų, CID 94622 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 94622 has 0 hydrogen bond donor(s) and 3 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 CID 94622?
The CAS number of CID 94622 is 67363-72-8.
What is the molecular formula of CID 94622?
The molecular formula of CID 94622 is C6H4BrNO3.
What is the molecular weight of CID 94622?
The molecular weight of CID 94622 is 216.94 g/mol.
Where can I buy CID 94622?
You can request a quote for CID 94622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 94622?
Yes, KEHONG BIO provides custom synthesis services for CID 94622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.