Ditert-butyl 2-aminobutanedioate
TL;DR: Ditert-butyl 2-aminobutanedioate (CAS 13795-73-8) 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.
ditert-butyl 2-aminobutanedioate
Also Known As: Ditert-butyl 2-aminobutanedioate, Aspartic acid di-tert-butyl ester, 2-AMINO-SUCCINIC ACID DI-TERT-BUTYL ESTER
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 1.3872 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 285.8612 |
Chemical Identifiers
| CAS Number | 13795-73-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)N |
Product Overview
Ditert-butyl 2-aminobutanedioate (CAS 13795-73-8), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: ditert-butyl 2-aminobutanedioate.
Chemical Property Profile of Ditert-butyl 2-aminobutanedioate
Property Insights of Ditert-butyl 2-aminobutanedioate
The XLogP value of 1.3872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ditert-butyl 2-aminobutanedioate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Ditert-butyl 2-aminobutanedioate. Following Lipinski's Rule of Five, Ditert-butyl 2-aminobutanedioate 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 Ditert-butyl 2-aminobutanedioate?
The CAS number of Ditert-butyl 2-aminobutanedioate is 13795-73-8.
What is the molecular formula of Ditert-butyl 2-aminobutanedioate?
The molecular formula of Ditert-butyl 2-aminobutanedioate is C12H23NO4.
What is the molecular weight of Ditert-butyl 2-aminobutanedioate?
The molecular weight of Ditert-butyl 2-aminobutanedioate is 245.16 g/mol.
Where can I buy Ditert-butyl 2-aminobutanedioate?
You can request a quote for Ditert-butyl 2-aminobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditert-butyl 2-aminobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Ditert-butyl 2-aminobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.