(Acetylamino)(3-oxobutyl)propanedioic acid
TL;DR: (Acetylamino)(3-oxobutyl)propanedioic acid (CAS 90644-13-6) is a chemical compound with molecular formula C9H13NO6 and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-2-(3-oxobutyl)propanedioic acid
Also Known As: (acetylamino)(3-oxobutyl)propanedioic acid, Acetamino-<3-oxo-butyl>-malonsaeure, 2-acetamido-2-(3-oxobutyl)propanedioic acid, Acetamido(3-oxobutyl)propanedioic acid
| Molecular Formula | C9H13NO6 |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.07428 |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 90644-13-6 |
|---|---|
| SMILES | CC(=O)CCC(C(=O)O)(C(=O)O)NC(=O)C |
| InChIKey | JEPNQCPOFJJBRI-UHFFFAOYSA-N |
Product Overview
(Acetylamino)(3-oxobutyl)propanedioic acid (CAS 90644-13-6), with molecular formula C9H13NO6 and molecular weight 231.07 g/mol. IUPAC: 2-acetamido-2-(3-oxobutyl)propanedioic acid.
Chemical Property Profile of (Acetylamino)(3-oxobutyl)propanedioic acid
Property Insights of (Acetylamino)(3-oxobutyl)propanedioic acid
The XLogP value of -1.2 indicates that (Acetylamino)(3-oxobutyl)propanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Acetylamino)(3-oxobutyl)propanedioic acid. Following Lipinski's Rule of Five, (Acetylamino)(3-oxobutyl)propanedioic acid has 3 hydrogen bond donor(s) and 6 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 (Acetylamino)(3-oxobutyl)propanedioic acid?
The CAS number of (Acetylamino)(3-oxobutyl)propanedioic acid is 90644-13-6.
What is the molecular formula of (Acetylamino)(3-oxobutyl)propanedioic acid?
The molecular formula of (Acetylamino)(3-oxobutyl)propanedioic acid is C9H13NO6.
What is the molecular weight of (Acetylamino)(3-oxobutyl)propanedioic acid?
The molecular weight of (Acetylamino)(3-oxobutyl)propanedioic acid is 231.07 g/mol.
Where can I buy (Acetylamino)(3-oxobutyl)propanedioic acid?
You can request a quote for (Acetylamino)(3-oxobutyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Acetylamino)(3-oxobutyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (Acetylamino)(3-oxobutyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.