Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester
TL;DR: Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester (CAS 709031-35-6) is a chemical compound with molecular formula C13H18Cl2O3 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dichloro-2-(3-hydroxy-1-adamantyl)acetate
Also Known As: Methyl dichloro(3-hydroxyadamantan-1-yl)acetate, dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester, Methyl 2,2-dichloro-2-(3-hydroxy-1-adamantyl)acetate, Methyl I+/-,I+/--dichloro-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetate
| Molecular Formula | C13H18Cl2O3 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.6646 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0633 |
| Heavy Atoms | 18 |
| Complexity | 379.6976 |
Chemical Identifiers
| CAS Number | 709031-35-6 |
|---|---|
| SMILES | COC(=O)C(C12CC3CC(C1)CC(C3)(C2)O)(Cl)Cl |
Product Overview
Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester (CAS 709031-35-6), with molecular formula C13H18Cl2O3 and molecular weight 292.06 g/mol. IUPAC: methyl 2,2-dichloro-2-(3-hydroxy-1-adamantyl)acetate.
Chemical Property Profile of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester
Property Insights of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester
The XLogP value of 2.6646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester has 1 hydrogen bond donor(s) and 3 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 Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester?
The CAS number of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester is 709031-35-6.
What is the molecular formula of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester?
The molecular formula of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester is C13H18Cl2O3.
What is the molecular weight of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester?
The molecular weight of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester is 292.06 g/mol.
Where can I buy Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester?
You can request a quote for Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.