Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate
TL;DR: Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate (CAS 16668-50-1) is a chemical compound with molecular formula C18H26Cl2O4 and molecular weight 376.12 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)-5,7-dimethyl-1-adamantyl]acetate
Also Known As: DIMETHYL ALPHA,ALPHA'-DICHLORO-5,7-DIMETHYL-1,3-ADAMANTANEDIACETATE, methyl 2-chloro-2-[3-(1-chloro-2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetate, Methyl 2-chloro-2-[5-(chloro-methoxycarbonyl-methyl)-3,7-dimethyl-1-adamantyl]acetate, 653-081-5, RefChem:588245
| Molecular Formula | C18H26Cl2O4 |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 3.914 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.12082 |
| Heavy Atoms | 24 |
| Complexity | 513.3661 |
Chemical Identifiers
| CAS Number | 16668-50-1 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)OC)Cl)C(C(=O)OC)Cl)C |
Product Overview
Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate (CAS 16668-50-1), with molecular formula C18H26Cl2O4 and molecular weight 376.12 g/mol. IUPAC: methyl 2-chloro-2-[3-(1-chloro-2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetate.
Chemical Property Profile of Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate
Property Insights of Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate
The XLogP value of 3.914 indicates that Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate 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'-dichloro-5,7-dimethyl-1,3-adamantanediacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate 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'-dichloro-5,7-dimethyl-1,3-adamantanediacetate?
The CAS number of Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate is 16668-50-1.
What is the molecular formula of Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate?
The molecular formula of Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate is C18H26Cl2O4.
What is the molecular weight of Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate?
The molecular weight of Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate is 376.12 g/mol.
Where can I buy Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate?
You can request a quote for Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate 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'-dichloro-5,7-dimethyl-1,3-adamantanediacetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl alpha,alpha'-dichloro-5,7-dimethyl-1,3-adamantanediacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.