SH5Kfx2EE4
TL;DR: SH5Kfx2EE4 (CAS 90376-99-1) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-2,3-dimethylbutanenitrile
Also Known As: (s)-2-amino-2,3-dimethylbutyronitrile, 2-Amino-2,3-dimethylbutanenitrile, 2-Amino-2,3-dimethylbutyronitrile, (+)-, 2-Amino-2,3-dimethylbutyronitrile, (2S)-, (2S)-2-amino-2,3-dimethylbutanenitrile
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 90376-99-1 |
|---|---|
| SMILES | CC(C)[C@@](C)(C#N)N |
| InChIKey | CAOHBROWLMCZRP-ZCFIWIBFSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SH5Kfx2EE4 (CAS 90376-99-1), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: (2S)-2-amino-2,3-dimethylbutanenitrile.
Chemical Property Profile of SH5Kfx2EE4
Property Insights of SH5Kfx2EE4
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SH5Kfx2EE4. With a topological polar surface area (TPSA) of 49.8 Ų, SH5Kfx2EE4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SH5Kfx2EE4 has 1 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 SH5Kfx2EE4?
The CAS number of SH5Kfx2EE4 is 90376-99-1.
What is the molecular formula of SH5Kfx2EE4?
The molecular formula of SH5Kfx2EE4 is C6H12N2.
What is the molecular weight of SH5Kfx2EE4?
The molecular weight of SH5Kfx2EE4 is 112.10 g/mol.
Where can I buy SH5Kfx2EE4?
You can request a quote for SH5Kfx2EE4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SH5Kfx2EE4?
Yes, KEHONG BIO provides custom synthesis services for SH5Kfx2EE4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.