(哌啶子基亚甲基)丙二腈
TL;DR: (哌啶子基亚甲基)丙二腈 (CAS 73541-92-1) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(哌啶子基亚甲基)丙二腈
2-(piperidin-1-ylmethylidene)propanedinitrile
Also Known As: MALONONITRILE, (PIPERIDINOMETHYLENE)-, Piperidine-1-methylenemalononitrile, Piperidinomethylenemalononitrile, 2-(piperidin-1-ylmethylidene)propanedinitrile, (Piperidinomethylene)malononitrile
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 73541-92-1 |
|---|---|
| SMILES | C1CCN(CC1)C=C(C#N)C#N |
| InChIKey | IDMBBRCPKAVZMT-UHFFFAOYSA-N |
Product Overview
(哌啶子基亚甲基)丙二腈 (CAS 73541-92-1), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 2-(piperidin-1-ylmethylidene)propanedinitrile.
Chemical Property Profile of (哌啶子基亚甲基)丙二腈
Property Insights of (哌啶子基亚甲基)丙二腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (哌啶子基亚甲基)丙二腈. With a topological polar surface area (TPSA) of 50.8 Ų, (哌啶子基亚甲基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (哌啶子基亚甲基)丙二腈 has 0 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 (哌啶子基亚甲基)丙二腈?
The CAS number of (哌啶子基亚甲基)丙二腈 is 73541-92-1.
What is the molecular formula of (哌啶子基亚甲基)丙二腈?
The molecular formula of (哌啶子基亚甲基)丙二腈 is C9H11N3.
What is the molecular weight of (哌啶子基亚甲基)丙二腈?
The molecular weight of (哌啶子基亚甲基)丙二腈 is 161.10 g/mol.
Where can I buy (哌啶子基亚甲基)丙二腈?
You can request a quote for (哌啶子基亚甲基)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 (哌啶子基亚甲基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (哌啶子基亚甲基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.