dibutyl (Z)-2-bromobut-2-enedioate
TL;DR: dibutyl (Z)-2-bromobut-2-enedioate (CAS 67191-73-5) is a chemical compound with molecular formula C12H19BrO4 and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl (Z)-2-bromobut-2-enedioate
Also Known As: dibutyl (Z)-2-bromobut-2-enedioate, Dibutyl (2Z)-2-bromobut-2-enedioate, 2-Butenedioic acid, dibutyl ester, (E)-
| Molecular Formula | C12H19BrO4 |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | 2.9518 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.04666 |
| Heavy Atoms | 17 |
| Complexity | 273.6792 |
Chemical Identifiers
| CAS Number | 67191-73-5 |
|---|---|
| SMILES | CCCCOC(=O)/C=C(/C(=O)OCCCC)\Br |
Product Overview
dibutyl (Z)-2-bromobut-2-enedioate (CAS 67191-73-5), with molecular formula C12H19BrO4 and molecular weight 306.05 g/mol. IUPAC: dibutyl (Z)-2-bromobut-2-enedioate.
Chemical Property Profile of dibutyl (Z)-2-bromobut-2-enedioate
Property Insights of dibutyl (Z)-2-bromobut-2-enedioate
The XLogP value of 2.9518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dibutyl (Z)-2-bromobut-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dibutyl (Z)-2-bromobut-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dibutyl (Z)-2-bromobut-2-enedioate 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 dibutyl (Z)-2-bromobut-2-enedioate?
The CAS number of dibutyl (Z)-2-bromobut-2-enedioate is 67191-73-5.
What is the molecular formula of dibutyl (Z)-2-bromobut-2-enedioate?
The molecular formula of dibutyl (Z)-2-bromobut-2-enedioate is C12H19BrO4.
What is the molecular weight of dibutyl (Z)-2-bromobut-2-enedioate?
The molecular weight of dibutyl (Z)-2-bromobut-2-enedioate is 306.05 g/mol.
Where can I buy dibutyl (Z)-2-bromobut-2-enedioate?
You can request a quote for dibutyl (Z)-2-bromobut-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dibutyl (Z)-2-bromobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for dibutyl (Z)-2-bromobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.