1-(Adamantan-1-yl)-3-chloropropan-2-one
TL;DR: 1-(Adamantan-1-yl)-3-chloropropan-2-one (CAS 26525-19-9) is a chemical compound with molecular formula C13H19ClO and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-chloropropan-2-one
Also Known As: 1-(adamantan-1-yl)-3-chloropropan-2-one, 1-(1-adamantyl)-3-chloropropan-2-one, 1-(Adamantan-1-yl)-3-chloroacetone, 1-adamantylmethyl chloromethyl ketone, BAS 12414104
| Molecular Formula | C13H19ClO |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 3.4008 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.11244 |
| Heavy Atoms | 15 |
| Complexity | 248.97633 |
Chemical Identifiers
| CAS Number | 26525-19-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CC(=O)CCl |
Product Overview
1-(Adamantan-1-yl)-3-chloropropan-2-one (CAS 26525-19-9), with molecular formula C13H19ClO and molecular weight 226.11 g/mol. IUPAC: 1-(1-adamantyl)-3-chloropropan-2-one.
Chemical Property Profile of 1-(Adamantan-1-yl)-3-chloropropan-2-one
Property Insights of 1-(Adamantan-1-yl)-3-chloropropan-2-one
The XLogP value of 3.4008 indicates that 1-(Adamantan-1-yl)-3-chloropropan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(Adamantan-1-yl)-3-chloropropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Adamantan-1-yl)-3-chloropropan-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 1-(Adamantan-1-yl)-3-chloropropan-2-one?
The CAS number of 1-(Adamantan-1-yl)-3-chloropropan-2-one is 26525-19-9.
What is the molecular formula of 1-(Adamantan-1-yl)-3-chloropropan-2-one?
The molecular formula of 1-(Adamantan-1-yl)-3-chloropropan-2-one is C13H19ClO.
What is the molecular weight of 1-(Adamantan-1-yl)-3-chloropropan-2-one?
The molecular weight of 1-(Adamantan-1-yl)-3-chloropropan-2-one is 226.11 g/mol.
Where can I buy 1-(Adamantan-1-yl)-3-chloropropan-2-one?
You can request a quote for 1-(Adamantan-1-yl)-3-chloropropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Adamantan-1-yl)-3-chloropropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Adamantan-1-yl)-3-chloropropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.