Dimethyl 3,4-dibromoadipate
TL;DR: Dimethyl 3,4-dibromoadipate (CAS 105543-51-9) is a chemical compound with molecular formula C8H12Br2O4 and molecular weight 329.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,4-dibromohexanedioate
Also Known As: Dimethyl 3,4-dibromoadipate, Dimethyl 3,4-dibromohexanedioate, Dimethyl 3,4-dibromohexanedioate #
| Molecular Formula | C8H12Br2O4 |
|---|---|
| Molecular Weight | 329.91 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.91022 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 105543-51-9 |
|---|---|
| SMILES | COC(=O)CC(C(CC(=O)OC)Br)Br |
| InChIKey | PENIDHFJRAEXGA-UHFFFAOYSA-N |
Product Overview
Dimethyl 3,4-dibromoadipate (CAS 105543-51-9), with molecular formula C8H12Br2O4 and molecular weight 329.91 g/mol. IUPAC: dimethyl 3,4-dibromohexanedioate.
Chemical Property Profile of Dimethyl 3,4-dibromoadipate
Property Insights of Dimethyl 3,4-dibromoadipate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3,4-dibromoadipate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3,4-dibromoadipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3,4-dibromoadipate 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 3,4-dibromoadipate?
The CAS number of Dimethyl 3,4-dibromoadipate is 105543-51-9.
What is the molecular formula of Dimethyl 3,4-dibromoadipate?
The molecular formula of Dimethyl 3,4-dibromoadipate is C8H12Br2O4.
What is the molecular weight of Dimethyl 3,4-dibromoadipate?
The molecular weight of Dimethyl 3,4-dibromoadipate is 329.91 g/mol.
Where can I buy Dimethyl 3,4-dibromoadipate?
You can request a quote for Dimethyl 3,4-dibromoadipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,4-dibromoadipate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,4-dibromoadipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.