tert-Butylpropanedial
TL;DR: tert-Butylpropanedial (CAS 55740-28-8) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylpropanedial
Also Known As: tert-Butylpropanedial, tert-Butylmalondialdehyde, 2-tert-butylpropanedial, 2-(tert-Butyl)malonaldehyde, tert-butyl-malonaldehyde
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 55740-28-8 |
|---|---|
| SMILES | CC(C)(C)C(C=O)C=O |
| InChIKey | AKQAIASNJCTKGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butylpropanedial (CAS 55740-28-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 2-tert-butylpropanedial.
Chemical Property Profile of tert-Butylpropanedial
Property Insights of tert-Butylpropanedial
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butylpropanedial. With a topological polar surface area (TPSA) of 34.1 Ų, tert-Butylpropanedial exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butylpropanedial has 0 hydrogen bond donor(s) and 2 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 tert-Butylpropanedial?
The CAS number of tert-Butylpropanedial is 55740-28-8.
What is the molecular formula of tert-Butylpropanedial?
The molecular formula of tert-Butylpropanedial is C7H12O2.
What is the molecular weight of tert-Butylpropanedial?
The molecular weight of tert-Butylpropanedial is 128.08 g/mol.
Where can I buy tert-Butylpropanedial?
You can request a quote for tert-Butylpropanedial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylpropanedial?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylpropanedial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.