苹果酸双(2-溴乙基)酯
TL;DR: 苹果酸双(2-溴乙基)酯 (CAS 127923-99-3) is a chemical compound with molecular formula C8H12Br2O5 and molecular weight 345.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苹果酸双(2-溴乙基)酯
bis(2-bromoethyl) 2-hydroxybutanedioate
Also Known As: Malic acid, bis(2-bromoethyl) ester, Malic acid, bis(2-bromoethyl)ester, bis(2-bromoethyl) 2-hydroxybutanedioate, 1,4-BIS(2-BROMOETHYL) 2-HYDROXYBUTANEDIOATE, Butanedioic acid, 2-hydroxy-, 1,4-bis(2-bromoethyl) ester
| Molecular Formula | C8H12Br2O5 |
|---|---|
| Molecular Weight | 345.91 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 345.90515 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 127923-99-3 |
|---|---|
| SMILES | C(CBr)OC(=O)CC(C(=O)OCCBr)O |
| InChIKey | ZPCPZRDSRSSVOZ-UHFFFAOYSA-N |
Product Overview
苹果酸双(2-溴乙基)酯 (CAS 127923-99-3), with molecular formula C8H12Br2O5 and molecular weight 345.91 g/mol. IUPAC: bis(2-bromoethyl) 2-hydroxybutanedioate.
Chemical Property Profile of 苹果酸双(2-溴乙基)酯
Property Insights of 苹果酸双(2-溴乙基)酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苹果酸双(2-溴乙基)酯. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 苹果酸双(2-溴乙基)酯. Following Lipinski's Rule of Five, 苹果酸双(2-溴乙基)酯 has 1 hydrogen bond donor(s) and 5 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 苹果酸双(2-溴乙基)酯?
The CAS number of 苹果酸双(2-溴乙基)酯 is 127923-99-3.
What is the molecular formula of 苹果酸双(2-溴乙基)酯?
The molecular formula of 苹果酸双(2-溴乙基)酯 is C8H12Br2O5.
What is the molecular weight of 苹果酸双(2-溴乙基)酯?
The molecular weight of 苹果酸双(2-溴乙基)酯 is 345.91 g/mol.
Where can I buy 苹果酸双(2-溴乙基)酯?
You can request a quote for 苹果酸双(2-溴乙基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苹果酸双(2-溴乙基)酯?
Yes, KEHONG BIO provides custom synthesis services for 苹果酸双(2-溴乙基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.