InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H
TL;DR: InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H (CAS 113451-45-9) is a chemical compound with molecular formula C7H11Cl and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobicyclo[3.1.1]heptane
Also Known As: 1-chlorobicyclo[3.1.1]heptane, 5-chlorobicyclo[3.1.1]heptane, InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H
| Molecular Formula | C7H11Cl |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 2.5579 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.05493 |
| Heavy Atoms | 8 |
| Complexity | 97.44468 |
Chemical Identifiers
| CAS Number | 113451-45-9 |
|---|---|
| SMILES | C1CC2CC(C1)(C2)Cl |
Product Overview
InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H (CAS 113451-45-9), with molecular formula C7H11Cl and molecular weight 130.05 g/mol. IUPAC: 1-chlorobicyclo[3.1.1]heptane.
Chemical Property Profile of InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H
Property Insights of InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H
The XLogP value of 2.5579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H. With a topological polar surface area (TPSA) of 0.0 Ų, InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H has 0 hydrogen bond donor(s) and 0 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 InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H?
The CAS number of InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H is 113451-45-9.
What is the molecular formula of InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H?
The molecular formula of InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H is C7H11Cl.
What is the molecular weight of InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H?
The molecular weight of InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H is 130.05 g/mol.
Where can I buy InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H?
You can request a quote for InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C7H11Cl/c8-7-3-1-2-6(4-7)5-7/h6H,1-5H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.