Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate
TL;DR: Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate (CAS 16668-48-7) is a chemical compound with molecular formula C16H22Cl2O4 and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-2-[3-(1-chloro-2-methoxy-2-oxoethyl)-1-adamantyl]acetate
Also Known As: dimethyl a,a'-dichloro-1,3-adamantanediacetate, Dimethyl .alpha.,.alpha.'-dichloro-1,3-adamantanediacetate, Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate, alpha,alpha -Dichloro-1,3-adamantanediacetic acid dimethyl ester, Dimethyl 2,2'-(tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(chloroacetate)
| Molecular Formula | C16H22Cl2O4 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0895 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 16668-48-7 |
|---|---|
| SMILES | COC(=O)C(C12CC3CC(C1)CC(C3)(C2)C(C(=O)OC)Cl)Cl |
| InChIKey | AADCSFJSFODVPA-UHFFFAOYSA-N |
Product Overview
Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate (CAS 16668-48-7), with molecular formula C16H22Cl2O4 and molecular weight 348.09 g/mol. IUPAC: methyl 2-chloro-2-[3-(1-chloro-2-methoxy-2-oxoethyl)-1-adamantyl]acetate.
Chemical Property Profile of Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate
Property Insights of Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate
The XLogP value of 3.7 indicates that Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate has 0 hydrogen bond donor(s) and 4 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 Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate?
The CAS number of Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate is 16668-48-7.
What is the molecular formula of Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate?
The molecular formula of Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate is C16H22Cl2O4.
What is the molecular weight of Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate?
The molecular weight of Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate is 348.09 g/mol.
Where can I buy Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate?
You can request a quote for Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl alpha,alpha'-dichlorotricyclo(3.3.1.13,7)decane-1,3-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.