Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid
TL;DR: Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid (CAS 16668-47-6) is a chemical compound with molecular formula C16H23ClO4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(carboxymethyl)-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid
Also Known As: ALPHA3-CHLORO-5,7-DIMETHYL-1,3-ADAMANTANEDIACETIC ACID, [3-(Carboxymethyl)-5,7-dimethyladamantan-1-yl](chloro)acetic acid, 2-[3-(carboxymethyl)-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid, 2-[5-(carboxy-chloro-methyl)-3,7-dimethyl-1-adamantyl]acetic Acid, 2-[3-(carboxymethyl)-5,7-dimethyladamantan-1-yl]-2-chloroacetic acid
| Molecular Formula | C16H23ClO4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.5199 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12848 |
| Heavy Atoms | 21 |
| Complexity | 496.40637 |
Chemical Identifiers
| CAS Number | 16668-47-6 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)Cl)CC(=O)O)C |
Product Overview
Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid (CAS 16668-47-6), with molecular formula C16H23ClO4 and molecular weight 314.13 g/mol. IUPAC: 2-[3-(carboxymethyl)-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid.
Chemical Property Profile of Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid
Property Insights of Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid
The XLogP value of 3.5199 indicates that Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid. Following Lipinski's Rule of Five, Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid has 2 hydrogen bond donor(s) and 2 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 Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid?
The CAS number of Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid is 16668-47-6.
What is the molecular formula of Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid?
The molecular formula of Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid is C16H23ClO4.
What is the molecular weight of Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid?
The molecular weight of Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid is 314.13 g/mol.
Where can I buy Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid?
You can request a quote for Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Alpha3-chloro-5,7-dimethyl-1,3-adamantanediacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.