1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate
TL;DR: 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate (CAS 215254-92-5) is a chemical compound with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-isocyanopropyl)carbamate
Also Known As: Tert-butyl N-(3-isocyanopropyl)carbamate, t-butyl 3-isocyanopropylcarbamate, 3-(N-Butoxycarbonylamino)propylisocyanide, 3-(N-tert-Butoxycarbonylamino)propylisocyanide, tert-Butyl (3-isocyanopropyl)carbamate
| Molecular Formula | C9H16N2O2 |
|---|---|
| Molecular Weight | 184.12 g/mol |
| LogP | 1.82049 |
| Topological Polar Surface Area | 42.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.12119 |
| Heavy Atoms | 13 |
| Complexity | 200.64069 |
Chemical Identifiers
| CAS Number | 215254-92-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC[N+]#[C-] |
Product Overview
1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate (CAS 215254-92-5), with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol. IUPAC: tert-butyl N-(3-isocyanopropyl)carbamate.
Chemical Property Profile of 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate
Property Insights of 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate
The XLogP value of 1.82049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate. With a topological polar surface area (TPSA) of 42.69 Ų, 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate 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 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate?
The CAS number of 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate is 215254-92-5.
What is the molecular formula of 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate?
The molecular formula of 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate is C9H16N2O2.
What is the molecular weight of 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate?
The molecular weight of 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate is 184.12 g/mol.
Where can I buy 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate?
You can request a quote for 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl N-(3-isocyanopropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.