Pyrrolidine, 1-(isocyanoacetyl)-
TL;DR: Pyrrolidine, 1-(isocyanoacetyl)- (CAS 67434-30-4) is a chemical compound with molecular formula C7H10N2O and molecular weight 138.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-1-pyrrolidin-1-ylethanone
Also Known As: 2-isocyano-1-pyrrolidin-1-yl-ethanone, Pyrrolidine, 1-(isocyanoacetyl)-, 1-PYRROLIDINO-2-ISOCYANO-ACETAMIDE, 2-Isocyano-1-(1-pyrrolidinyl)ethanone, 2-isocyano-1-pyrrolidin-1-ylethanone
| Molecular Formula | C7H10N2O |
|---|---|
| Molecular Weight | 138.08 g/mol |
| LogP | 0.52809 |
| Topological Polar Surface Area | 24.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.07932 |
| Heavy Atoms | 10 |
| Complexity | 164.93515 |
Chemical Identifiers
| CAS Number | 67434-30-4 |
|---|---|
| SMILES | [C-]#[N+]CC(=O)N1CCCC1 |
Product Overview
Pyrrolidine, 1-(isocyanoacetyl)- (CAS 67434-30-4), with molecular formula C7H10N2O and molecular weight 138.08 g/mol. IUPAC: 2-isocyano-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of Pyrrolidine, 1-(isocyanoacetyl)-
Property Insights of Pyrrolidine, 1-(isocyanoacetyl)-
The XLogP value of 0.52809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(isocyanoacetyl)-. With a topological polar surface area (TPSA) of 24.67 Ų, Pyrrolidine, 1-(isocyanoacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(isocyanoacetyl)- 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 Pyrrolidine, 1-(isocyanoacetyl)-?
The CAS number of Pyrrolidine, 1-(isocyanoacetyl)- is 67434-30-4.
What is the molecular formula of Pyrrolidine, 1-(isocyanoacetyl)-?
The molecular formula of Pyrrolidine, 1-(isocyanoacetyl)- is C7H10N2O.
What is the molecular weight of Pyrrolidine, 1-(isocyanoacetyl)-?
The molecular weight of Pyrrolidine, 1-(isocyanoacetyl)- is 138.08 g/mol.
Where can I buy Pyrrolidine, 1-(isocyanoacetyl)-?
You can request a quote for Pyrrolidine, 1-(isocyanoacetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(isocyanoacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(isocyanoacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.