Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate
TL;DR: Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate (CAS 202534-05-2) is a chemical compound with molecular formula C16H22Br2O4 and molecular weight 435.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate
Also Known As: methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate, methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)adamantan-1-yl]acetate, F0035-0024, Dimethyl 2,2'-(adamantane-1,3-diyl)bis(2-bromoacetate), methyl 2bromo2[3(1bromo2methoxy2oxoethyl)1adamantyl]acetate
| Molecular Formula | C16H22Br2O4 |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 3.446 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.9885 |
| Heavy Atoms | 22 |
| Complexity | 438.53748 |
Chemical Identifiers
| CAS Number | 202534-05-2 |
|---|---|
| SMILES | COC(=O)C(C12CC3CC(C1)CC(C3)(C2)C(C(=O)OC)Br)Br |
Product Overview
Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate (CAS 202534-05-2), with molecular formula C16H22Br2O4 and molecular weight 435.99 g/mol. IUPAC: methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate.
Chemical Property Profile of Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate
Property Insights of Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate
The XLogP value of 3.446 indicates that Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate 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 Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate?
The CAS number of Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate is 202534-05-2.
What is the molecular formula of Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate?
The molecular formula of Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate is C16H22Br2O4.
What is the molecular weight of Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate?
The molecular weight of Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate is 435.99 g/mol.
Where can I buy Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate?
You can request a quote for Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-2-[3-(1-bromo-2-methoxy-2-oxoethyl)-1-adamantyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.