2-(3-羟基丁-2-亚基)丙二腈
TL;DR: 2-(3-羟基丁-2-亚基)丙二腈 (CAS 892150-91-3) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-羟基丁-2-亚基)丙二腈
2-(3-hydroxybutan-2-ylidene)propanedinitrile
Also Known As: 2-(3-hydroxybutan-2-ylidene)propanedinitrile, (3-Hydroxybutan-2-ylidene)propanedinitrile, Bicyclo[4.1.0]heptan-2-one,7,7-dichloro, 2-(2-HYDROXY-1-METHYLPROPYLIDENE)MALONONITRILE
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 892150-91-3 |
|---|---|
| SMILES | CC(C(=C(C#N)C#N)C)O |
| InChIKey | JQIPSELZSYYECE-UHFFFAOYSA-N |
Product Overview
2-(3-羟基丁-2-亚基)丙二腈 (CAS 892150-91-3), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: 2-(3-hydroxybutan-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(3-羟基丁-2-亚基)丙二腈
Property Insights of 2-(3-羟基丁-2-亚基)丙二腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-羟基丁-2-亚基)丙二腈. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-羟基丁-2-亚基)丙二腈. Following Lipinski's Rule of Five, 2-(3-羟基丁-2-亚基)丙二腈 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 2-(3-羟基丁-2-亚基)丙二腈?
The CAS number of 2-(3-羟基丁-2-亚基)丙二腈 is 892150-91-3.
What is the molecular formula of 2-(3-羟基丁-2-亚基)丙二腈?
The molecular formula of 2-(3-羟基丁-2-亚基)丙二腈 is C7H8N2O.
What is the molecular weight of 2-(3-羟基丁-2-亚基)丙二腈?
The molecular weight of 2-(3-羟基丁-2-亚基)丙二腈 is 136.06 g/mol.
Where can I buy 2-(3-羟基丁-2-亚基)丙二腈?
You can request a quote for 2-(3-羟基丁-2-亚基)丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-羟基丁-2-亚基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-羟基丁-2-亚基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.