4-(叔丁氧基)-3-羟基丁腈
TL;DR: 4-(叔丁氧基)-3-羟基丁腈 (CAS 141077-80-7) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(叔丁氧基)-3-羟基丁腈
3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanenitrile
Also Known As: 4-(tert-butoxy)-3-hydroxybutanenitrile, 3-Hydroxy-4-tert-butoxybutanenitrile, 3-Hydroxy-4-tert-butoxybutyronitrile, 4-tert-Butoxy-3-hydroxybutanenitrile, 4-tert-butoxy-3-hydroxy-butanenitrile
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 141077-80-7 |
|---|---|
| SMILES | CC(C)(C)OCC(CC#N)O |
| InChIKey | QMZBRCSTFKEQPV-UHFFFAOYSA-N |
Product Overview
4-(叔丁氧基)-3-羟基丁腈 (CAS 141077-80-7), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: 3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanenitrile.
Chemical Property Profile of 4-(叔丁氧基)-3-羟基丁腈
Property Insights of 4-(叔丁氧基)-3-羟基丁腈
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(叔丁氧基)-3-羟基丁腈. With a topological polar surface area (TPSA) of 53.3 Ų, 4-(叔丁氧基)-3-羟基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(叔丁氧基)-3-羟基丁腈 has 1 hydrogen bond donor(s) and 3 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 4-(叔丁氧基)-3-羟基丁腈?
The CAS number of 4-(叔丁氧基)-3-羟基丁腈 is 141077-80-7.
What is the molecular formula of 4-(叔丁氧基)-3-羟基丁腈?
The molecular formula of 4-(叔丁氧基)-3-羟基丁腈 is C8H15NO2.
What is the molecular weight of 4-(叔丁氧基)-3-羟基丁腈?
The molecular weight of 4-(叔丁氧基)-3-羟基丁腈 is 157.11 g/mol.
Where can I buy 4-(叔丁氧基)-3-羟基丁腈?
You can request a quote for 4-(叔丁氧基)-3-羟基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(叔丁氧基)-3-羟基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(叔丁氧基)-3-羟基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.