5-Chlorooctahydro-4,7-methano-2-benzofuran
TL;DR: 5-Chlorooctahydro-4,7-methano-2-benzofuran (CAS 104544-40-3) is a chemical compound with molecular formula C9H13ClO and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-4-oxatricyclo[5.2.1.02,6]decane
Also Known As: 5-chlorooctahydro-4,7-methano-2-benzofuran
| Molecular Formula | C9H13ClO |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06549 |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 104544-40-3 |
|---|---|
| SMILES | C1C2CC(C1C3C2COC3)Cl |
| InChIKey | OLTIFKDUOFQDQL-UHFFFAOYSA-N |
Product Overview
5-Chlorooctahydro-4,7-methano-2-benzofuran (CAS 104544-40-3), with molecular formula C9H13ClO and molecular weight 172.07 g/mol. IUPAC: 8-chloro-4-oxatricyclo[5.2.1.02,6]decane.
Chemical Property Profile of 5-Chlorooctahydro-4,7-methano-2-benzofuran
Property Insights of 5-Chlorooctahydro-4,7-methano-2-benzofuran
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chlorooctahydro-4,7-methano-2-benzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, 5-Chlorooctahydro-4,7-methano-2-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chlorooctahydro-4,7-methano-2-benzofuran has 0 hydrogen bond donor(s) and 1 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-Chlorooctahydro-4,7-methano-2-benzofuran?
The CAS number of 5-Chlorooctahydro-4,7-methano-2-benzofuran is 104544-40-3.
What is the molecular formula of 5-Chlorooctahydro-4,7-methano-2-benzofuran?
The molecular formula of 5-Chlorooctahydro-4,7-methano-2-benzofuran is C9H13ClO.
What is the molecular weight of 5-Chlorooctahydro-4,7-methano-2-benzofuran?
The molecular weight of 5-Chlorooctahydro-4,7-methano-2-benzofuran is 172.07 g/mol.
Where can I buy 5-Chlorooctahydro-4,7-methano-2-benzofuran?
You can request a quote for 5-Chlorooctahydro-4,7-methano-2-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chlorooctahydro-4,7-methano-2-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorooctahydro-4,7-methano-2-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.