tert-butyl (2S,4R)-2-amino-4-cyanopentanoate
TL;DR: tert-butyl (2S,4R)-2-amino-4-cyanopentanoate (CAS 402579-65-1) is a chemical compound with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S,4R)-2-amino-4-cyanopentanoate
Also Known As: tert-butyl 2-amino-4-cyanopentanoate, Tert-butyl (2S,4R)-2-amino-4-cyano-pentanoate
| Molecular Formula | C10H18N2O2 |
|---|---|
| Molecular Weight | 198.14 g/mol |
| LogP | 1.20518 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.13683 |
| Heavy Atoms | 14 |
| Complexity | 237.487 |
Chemical Identifiers
| CAS Number | 402579-65-1 |
|---|---|
| SMILES | C[C@H](C[C@@H](C(=O)OC(C)(C)C)N)C#N |
Product Overview
tert-butyl (2S,4R)-2-amino-4-cyanopentanoate (CAS 402579-65-1), with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol. IUPAC: tert-butyl (2S,4R)-2-amino-4-cyanopentanoate.
Chemical Property Profile of tert-butyl (2S,4R)-2-amino-4-cyanopentanoate
Property Insights of tert-butyl (2S,4R)-2-amino-4-cyanopentanoate
The XLogP value of 1.20518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2S,4R)-2-amino-4-cyanopentanoate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2S,4R)-2-amino-4-cyanopentanoate. Following Lipinski's Rule of Five, tert-butyl (2S,4R)-2-amino-4-cyanopentanoate has 1 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 tert-butyl (2S,4R)-2-amino-4-cyanopentanoate?
The CAS number of tert-butyl (2S,4R)-2-amino-4-cyanopentanoate is 402579-65-1.
What is the molecular formula of tert-butyl (2S,4R)-2-amino-4-cyanopentanoate?
The molecular formula of tert-butyl (2S,4R)-2-amino-4-cyanopentanoate is C10H18N2O2.
What is the molecular weight of tert-butyl (2S,4R)-2-amino-4-cyanopentanoate?
The molecular weight of tert-butyl (2S,4R)-2-amino-4-cyanopentanoate is 198.14 g/mol.
Where can I buy tert-butyl (2S,4R)-2-amino-4-cyanopentanoate?
You can request a quote for tert-butyl (2S,4R)-2-amino-4-cyanopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (2S,4R)-2-amino-4-cyanopentanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2S,4R)-2-amino-4-cyanopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.