Chloro(3,5-dimethyl-1-adamantyl)acetic acid
TL;DR: Chloro(3,5-dimethyl-1-adamantyl)acetic acid (CAS 16668-44-3) is a chemical compound with molecular formula C14H21ClO2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-(3,5-dimethyl-1-adamantyl)acetic acid
Also Known As: chloro(3,5-dimethyl-1-adamantyl)acetic acid, 2-chloro-2-(3,5-dimethyl-1-adamantyl)acetic Acid, ALPHA-CHLORO-3,5-DIMETHYL-1-ADAMANTANEACETIC ACID
| Molecular Formula | C14H21ClO2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 3.675 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.12302 |
| Heavy Atoms | 17 |
| Complexity | 360.4185 |
Chemical Identifiers
| CAS Number | 16668-44-3 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)C(C(=O)O)Cl)C |
Product Overview
Chloro(3,5-dimethyl-1-adamantyl)acetic acid (CAS 16668-44-3), with molecular formula C14H21ClO2 and molecular weight 256.12 g/mol. IUPAC: 2-chloro-2-(3,5-dimethyl-1-adamantyl)acetic acid.
Chemical Property Profile of Chloro(3,5-dimethyl-1-adamantyl)acetic acid
Property Insights of Chloro(3,5-dimethyl-1-adamantyl)acetic acid
The XLogP value of 3.675 indicates that Chloro(3,5-dimethyl-1-adamantyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Chloro(3,5-dimethyl-1-adamantyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro(3,5-dimethyl-1-adamantyl)acetic acid has 1 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 Chloro(3,5-dimethyl-1-adamantyl)acetic acid?
The CAS number of Chloro(3,5-dimethyl-1-adamantyl)acetic acid is 16668-44-3.
What is the molecular formula of Chloro(3,5-dimethyl-1-adamantyl)acetic acid?
The molecular formula of Chloro(3,5-dimethyl-1-adamantyl)acetic acid is C14H21ClO2.
What is the molecular weight of Chloro(3,5-dimethyl-1-adamantyl)acetic acid?
The molecular weight of Chloro(3,5-dimethyl-1-adamantyl)acetic acid is 256.12 g/mol.
Where can I buy Chloro(3,5-dimethyl-1-adamantyl)acetic acid?
You can request a quote for Chloro(3,5-dimethyl-1-adamantyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro(3,5-dimethyl-1-adamantyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Chloro(3,5-dimethyl-1-adamantyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.