tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate
TL;DR: tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate (CAS 134676-36-1) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(2-hydroxybut-3-enyl)carbamate
Also Known As: 4-(BOC-amino)-1-butene-3-ol, tert-butyl 2-hydroxy-3-butenylcarbamate, Tert-butyl N-(2-hydroxybut-3-enyl)carbamate, Carbamic acid, (2-hydroxy-3-butenyl)-, 1,1-dimethylethyl ester (9CI), Tert-butyl 2-hydroxybut-3-enylcarbamate
Technical Specifications
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.12085 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.12085 Da |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| SMILES | CC(C)(C)OC(=O)NCC(C=C)O |
| InChIKey | FBTJXGHOIORLFL-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate
Property Insights of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate?
The CAS number of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate is 134676-36-1.
What is the molecular formula of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate?
The molecular formula of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate is C9H17NO3.
What is the molecular weight of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate?
The molecular weight of tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate is 187.12085 g/mol.
Where can I buy tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate?
You can request a quote for tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl N-(2-hydroxybut-3-en-1-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.