3-环己烯基亚甲基丙二腈
TL;DR: 3-环己烯基亚甲基丙二腈 (CAS 99071-52-0) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-环己烯基亚甲基丙二腈
2-(cyclohex-3-en-1-ylmethylidene)propanedinitrile
Also Known As: 3-Cyclohexenylmethylenemalononitrile, MALONONITRILE, 3-CYCLOHEXENYLMETHYLENE-, 2-(cyclohex-3-en-1-ylmethylidene)propanedinitrile, [(Cyclohex-3-en-1-yl)methylidene]propanedinitrile, 2-[(cyclohex-3-en-1-yl)methylidene]propanedinitrile
| Molecular Formula | C10H10N2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.0844 |
| Heavy Atoms | 12 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 99071-52-0 |
|---|---|
| SMILES | C1CC(CC=C1)C=C(C#N)C#N |
| InChIKey | CGYHLQRLSQLPSX-UHFFFAOYSA-N |
Product Overview
3-环己烯基亚甲基丙二腈 (CAS 99071-52-0), with molecular formula C10H10N2 and molecular weight 158.08 g/mol. IUPAC: 2-(cyclohex-3-en-1-ylmethylidene)propanedinitrile.
Chemical Property Profile of 3-环己烯基亚甲基丙二腈
Property Insights of 3-环己烯基亚甲基丙二腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-环己烯基亚甲基丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 3-环己烯基亚甲基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-环己烯基亚甲基丙二腈 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 3-环己烯基亚甲基丙二腈?
The CAS number of 3-环己烯基亚甲基丙二腈 is 99071-52-0.
What is the molecular formula of 3-环己烯基亚甲基丙二腈?
The molecular formula of 3-环己烯基亚甲基丙二腈 is C10H10N2.
What is the molecular weight of 3-环己烯基亚甲基丙二腈?
The molecular weight of 3-环己烯基亚甲基丙二腈 is 158.08 g/mol.
Where can I buy 3-环己烯基亚甲基丙二腈?
You can request a quote for 3-环己烯基亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-环己烯基亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 3-环己烯基亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.