(3S)-3-isocyano-2,2-dimethylbutane
TL;DR: (3S)-3-isocyano-2,2-dimethylbutane (CAS 438186-75-5) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-isocyano-2,2-dimethylbutane
Also Known As: (3S)-3-isocyano-2,2-dimethylbutane, (S)-3,3-Dimethylbuty-2-ylisocyanide, (s)-3,3-dimethylbut-2-yl-isocyanide, -3,3-DIMETHYLBUTY-2-YLISOCYANIDE, [(1S)-1,2,2-Trimethylpropyl] isocyanide
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 2.34029 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 102.53568 |
Chemical Identifiers
| CAS Number | 438186-75-5 |
|---|---|
| SMILES | C[C@@H](C(C)(C)C)[N+]#[C-] |
Product Overview
(3S)-3-isocyano-2,2-dimethylbutane (CAS 438186-75-5), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: (3S)-3-isocyano-2,2-dimethylbutane.
Chemical Property Profile of (3S)-3-isocyano-2,2-dimethylbutane
Property Insights of (3S)-3-isocyano-2,2-dimethylbutane
The XLogP value of 2.34029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-isocyano-2,2-dimethylbutane. With a topological polar surface area (TPSA) of 4.36 Ų, (3S)-3-isocyano-2,2-dimethylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-isocyano-2,2-dimethylbutane has 0 hydrogen bond donor(s) and 0 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 (3S)-3-isocyano-2,2-dimethylbutane?
The CAS number of (3S)-3-isocyano-2,2-dimethylbutane is 438186-75-5.
What is the molecular formula of (3S)-3-isocyano-2,2-dimethylbutane?
The molecular formula of (3S)-3-isocyano-2,2-dimethylbutane is C7H13N.
What is the molecular weight of (3S)-3-isocyano-2,2-dimethylbutane?
The molecular weight of (3S)-3-isocyano-2,2-dimethylbutane is 111.10 g/mol.
Where can I buy (3S)-3-isocyano-2,2-dimethylbutane?
You can request a quote for (3S)-3-isocyano-2,2-dimethylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-isocyano-2,2-dimethylbutane?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-isocyano-2,2-dimethylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.