3-Isocyano-1,1-dimethoxypropane
TL;DR: 3-Isocyano-1,1-dimethoxypropane (CAS 139723-01-6) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyano-1,1-dimethoxypropane
Also Known As: 3-isocyano-1,1-dimethoxypropane, 3-isocyano-1,1-dimethoxy-propane
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 0.91469 |
| Topological Polar Surface Area | 22.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 93.72121 |
Chemical Identifiers
| CAS Number | 139723-01-6 |
|---|---|
| SMILES | COC(CC[N+]#[C-])OC |
Product Overview
3-Isocyano-1,1-dimethoxypropane (CAS 139723-01-6), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: 3-isocyano-1,1-dimethoxypropane.
Chemical Property Profile of 3-Isocyano-1,1-dimethoxypropane
Property Insights of 3-Isocyano-1,1-dimethoxypropane
The XLogP value of 0.91469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyano-1,1-dimethoxypropane. With a topological polar surface area (TPSA) of 22.82 Ų, 3-Isocyano-1,1-dimethoxypropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyano-1,1-dimethoxypropane has 0 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 3-Isocyano-1,1-dimethoxypropane?
The CAS number of 3-Isocyano-1,1-dimethoxypropane is 139723-01-6.
What is the molecular formula of 3-Isocyano-1,1-dimethoxypropane?
The molecular formula of 3-Isocyano-1,1-dimethoxypropane is C6H11NO2.
What is the molecular weight of 3-Isocyano-1,1-dimethoxypropane?
The molecular weight of 3-Isocyano-1,1-dimethoxypropane is 129.08 g/mol.
Where can I buy 3-Isocyano-1,1-dimethoxypropane?
You can request a quote for 3-Isocyano-1,1-dimethoxypropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyano-1,1-dimethoxypropane?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyano-1,1-dimethoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.