![2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈 structure](/static/products/2262/22629-10-3.webp)
2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈
TL;DR: 2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈 (CAS 22629-10-3) is a chemical compound with molecular formula C11H10N2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈
2-(2-bicyclo[2.2.1]hept-5-enylmethylidene)propanedinitrile
Also Known As: [ methylene]malononitrile|(5-Norbornen-2-ylmethylene)malononitrile|Bicyclo(2.2.1)hept-2-ene-6-methylidene malonitrile|MALONONITRILE, (5-NORBORNENYL-2-YLMETHYLENE)-|2-(5-bicyclo[2.2.1]hept-2-enylmethylidene)propanedinitrile|2.5-Methylen-1.2.5.6-tetrahydro-benzal-malodinitril|[(Bicyclo[2.2.1]hept-2-en-5-yl)methylene]malononitrile|[(Bicyclo[2.2.1]hept-5-en-2-yl)methylidene]propanedinitrile|2-({bicyclo[2.2.1]hept-5-en-2-yl}methylidene)propanedinitrile|BRN 3090214|RefChem:351876
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 22629-10-3 |
|---|---|
| SMILES | C1C2CC(C1C=C2)C=C(C#N)C#N |
| InChIKey | BNNHCZXJHVKAQE-UHFFFAOYSA-N |
Product Overview
2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈 (CAS 22629-10-3), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 2-(2-bicyclo[2.2.1]hept-5-enylmethylidene)propanedinitrile.
Chemical Property Profile of 2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈
Property Insights of 2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[(双环[2.2.1]庚-5-烯-2-基)甲基亚基]丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-降冰片烯-2-基亚甲基)丙二腈 has 0 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 (5-降冰片烯-2-基亚甲基)丙二腈?
The CAS number of (5-降冰片烯-2-基亚甲基)丙二腈 is 22629-10-3.
What is the molecular formula of (5-降冰片烯-2-基亚甲基)丙二腈?
The molecular formula of (5-降冰片烯-2-基亚甲基)丙二腈 is C11H10N2.
What is the molecular weight of (5-降冰片烯-2-基亚甲基)丙二腈?
The molecular weight of (5-降冰片烯-2-基亚甲基)丙二腈 is 170.08 g/mol.
Where can I buy (5-降冰片烯-2-基亚甲基)丙二腈?
You can request a quote for (5-降冰片烯-2-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 (5-降冰片烯-2-基亚甲基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (5-降冰片烯-2-基亚甲基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.