2,2-二溴丙二酸1,3-二乙酯
TL;DR: 2,2-二溴丙二酸1,3-二乙酯 (CAS 631-22-1) is a chemical compound with molecular formula C7H10Br2O4 and molecular weight 315.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二溴丙二酸1,3-二乙酯
diethyl 2,2-dibromopropanedioate
Also Known As: Diethyl dibromomalonate, Diethyl 2,2-dibromomalonate, Ethyl dibromomalonate, diethyl 2,2-dibromopropanedioate, DIETHYLDIBROMOMALONATE
| Molecular Formula | C7H10Br2O4 |
|---|---|
| Molecular Weight | 315.89 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.89252 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 631-22-1 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)(Br)Br |
| InChIKey | PFZYFZRUPFUEOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二溴丙二酸1,3-二乙酯 (CAS 631-22-1), with molecular formula C7H10Br2O4 and molecular weight 315.89 g/mol. IUPAC: diethyl 2,2-dibromopropanedioate.
Chemical Property Profile of 2,2-二溴丙二酸1,3-二乙酯
Property Insights of 2,2-二溴丙二酸1,3-二乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二溴丙二酸1,3-二乙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-二溴丙二酸1,3-二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二溴丙二酸1,3-二乙酯 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 2,2-二溴丙二酸1,3-二乙酯?
The CAS number of 2,2-二溴丙二酸1,3-二乙酯 is 631-22-1.
What is the molecular formula of 2,2-二溴丙二酸1,3-二乙酯?
The molecular formula of 2,2-二溴丙二酸1,3-二乙酯 is C7H10Br2O4.
What is the molecular weight of 2,2-二溴丙二酸1,3-二乙酯?
The molecular weight of 2,2-二溴丙二酸1,3-二乙酯 is 315.89 g/mol.
Where can I buy 2,2-二溴丙二酸1,3-二乙酯?
You can request a quote for 2,2-二溴丙二酸1,3-二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二溴丙二酸1,3-二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二溴丙二酸1,3-二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.