![2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid structure](/static/products/5858/58589-90-5.webp)
2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid
TL;DR: 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid (CAS 58589-90-5) is a chemical compound with molecular formula C14H18Cl2O4 and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[carboxy(chloro)methyl]-1-adamantyl]-2-chloroacetic acid
Also Known As: AB01330194-02, A4072/0173491, 2,2'-(adamantane-1,3-diyl)bis(2-chloroacetic acid), 2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis(chloroacetic acid), 2-[3-(carboxychloromethyl)adamantanyl]-2-chloroacetic acid
| Molecular Formula | C14H18Cl2O4 |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 2.957 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.05823 |
| Heavy Atoms | 20 |
| Complexity | 412.09027 |
Chemical Identifiers
| CAS Number | 58589-90-5 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)C(C(=O)O)Cl)C(C(=O)O)Cl |
Product Overview
2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid (CAS 58589-90-5), with molecular formula C14H18Cl2O4 and molecular weight 320.06 g/mol. IUPAC: 2-[3-[carboxy(chloro)methyl]-1-adamantyl]-2-chloroacetic acid.
Chemical Property Profile of 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid
Property Insights of 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid
The XLogP value of 2.957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid. Following Lipinski's Rule of Five, 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic 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 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid?
The CAS number of 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid is 58589-90-5.
What is the molecular formula of 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid?
The molecular formula of 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid is C14H18Cl2O4.
What is the molecular weight of 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid?
The molecular weight of 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid is 320.06 g/mol.
Where can I buy 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid?
You can request a quote for 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Carboxychloromethyl)adamantanyl]-2-chloroacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.