1-Isocyano-3-(1-methylethoxy)propane
TL;DR: 1-Isocyano-3-(1-methylethoxy)propane (CAS 602262-07-7) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-3-propan-2-yloxypropane
Also Known As: 1-Isocyano-3-isopropoxypropane, 1-isocyano-3-isopropoxy-propane, 1-isocyano-3-propan-2-yloxypropane, 1-isocyano-3-(propan-2-yloxy)propane, 3-Isopropoxypropyl isocyanide
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.72079 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 93.5795 |
Chemical Identifiers
| CAS Number | 602262-07-7 |
|---|---|
| SMILES | CC(C)OCCC[N+]#[C-] |
Product Overview
1-Isocyano-3-(1-methylethoxy)propane (CAS 602262-07-7), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 1-isocyano-3-propan-2-yloxypropane.
Chemical Property Profile of 1-Isocyano-3-(1-methylethoxy)propane
Property Insights of 1-Isocyano-3-(1-methylethoxy)propane
The XLogP value of 1.72079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyano-3-(1-methylethoxy)propane. With a topological polar surface area (TPSA) of 13.59 Ų, 1-Isocyano-3-(1-methylethoxy)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyano-3-(1-methylethoxy)propane has 0 hydrogen bond donor(s) and 1 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 1-Isocyano-3-(1-methylethoxy)propane?
The CAS number of 1-Isocyano-3-(1-methylethoxy)propane is 602262-07-7.
What is the molecular formula of 1-Isocyano-3-(1-methylethoxy)propane?
The molecular formula of 1-Isocyano-3-(1-methylethoxy)propane is C7H13NO.
What is the molecular weight of 1-Isocyano-3-(1-methylethoxy)propane?
The molecular weight of 1-Isocyano-3-(1-methylethoxy)propane is 127.10 g/mol.
Where can I buy 1-Isocyano-3-(1-methylethoxy)propane?
You can request a quote for 1-Isocyano-3-(1-methylethoxy)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyano-3-(1-methylethoxy)propane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyano-3-(1-methylethoxy)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.