3-Chlorobornan-2-one
TL;DR: 3-Chlorobornan-2-one (CAS 508-29-2) is a chemical compound with molecular formula C10H15ClO and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Also Known As: Chlorcampher, 3-Chloro-d-camphor, 3-Chlorobornan-2-one, Endo-3-chlorocamphor, 3-Chloro-2-bornanone
| Molecular Formula | C10H15ClO |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.08115 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 508-29-2 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2Cl)C)C |
| InChIKey | TYKNIXUIZSBZSO-UHFFFAOYSA-N |
Product Overview
3-Chlorobornan-2-one (CAS 508-29-2), with molecular formula C10H15ClO and molecular weight 186.08 g/mol. IUPAC: 3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of 3-Chlorobornan-2-one
Property Insights of 3-Chlorobornan-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorobornan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chlorobornan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobornan-2-one 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 3-Chlorobornan-2-one?
The CAS number of 3-Chlorobornan-2-one is 508-29-2.
What is the molecular formula of 3-Chlorobornan-2-one?
The molecular formula of 3-Chlorobornan-2-one is C10H15ClO.
What is the molecular weight of 3-Chlorobornan-2-one?
The molecular weight of 3-Chlorobornan-2-one is 186.08 g/mol.
Where can I buy 3-Chlorobornan-2-one?
You can request a quote for 3-Chlorobornan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobornan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobornan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.