Aspartic acid, dibutyl ester
TL;DR: Aspartic acid, dibutyl ester (CAS 2885-11-2) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl (2S)-2-aminobutanedioate
Also Known As: Dibutyl aspartate, Aspartic acid, dibutyl ester, l-aspartate dibutylester, Dibutyl 2-Aminosuccinate, L-Aspartic acid, dibutyl ester
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 1.3904 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 230.54552 |
Chemical Identifiers
| CAS Number | 2885-11-2 |
|---|---|
| SMILES | CCCCOC(=O)C[C@@H](C(=O)OCCCC)N |
Product Overview
Aspartic acid, dibutyl ester (CAS 2885-11-2), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: dibutyl (2S)-2-aminobutanedioate.
Chemical Property Profile of Aspartic acid, dibutyl ester
Property Insights of Aspartic acid, dibutyl ester
The XLogP value of 1.3904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspartic acid, dibutyl ester. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspartic acid, dibutyl ester. Following Lipinski's Rule of Five, Aspartic acid, dibutyl ester 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 Aspartic acid, dibutyl ester?
The CAS number of Aspartic acid, dibutyl ester is 2885-11-2.
What is the molecular formula of Aspartic acid, dibutyl ester?
The molecular formula of Aspartic acid, dibutyl ester is C12H23NO4.
What is the molecular weight of Aspartic acid, dibutyl ester?
The molecular weight of Aspartic acid, dibutyl ester is 245.16 g/mol.
Where can I buy Aspartic acid, dibutyl ester?
You can request a quote for Aspartic acid, dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspartic acid, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Aspartic acid, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.