3,4-亚甲二氧基亚苄基丙二腈
TL;DR: 3,4-亚甲二氧基亚苄基丙二腈 (CAS 2972-82-9) is a chemical compound with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-亚甲二氧基亚苄基丙二腈
2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile
Also Known As: Piperonylidenemalononitrile, 4-Phenoxybenzonitrile, Maybridge1_007110, MALONONITRILE, (PIPERONYLIDENE)-, RARECHEM AL BX 0548
| Molecular Formula | C11H6N2O2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.04292 |
| Heavy Atoms | 15 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 2972-82-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(C#N)C#N |
| InChIKey | AWMFEYQOEQDZKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-亚甲二氧基亚苄基丙二腈 (CAS 2972-82-9), with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile.
Chemical Property Profile of 3,4-亚甲二氧基亚苄基丙二腈
Property Insights of 3,4-亚甲二氧基亚苄基丙二腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-亚甲二氧基亚苄基丙二腈. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-亚甲二氧基亚苄基丙二腈. Following Lipinski's Rule of Five, 3,4-亚甲二氧基亚苄基丙二腈 has 0 hydrogen bond donor(s) and 4 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 3,4-亚甲二氧基亚苄基丙二腈?
The CAS number of 3,4-亚甲二氧基亚苄基丙二腈 is 2972-82-9.
What is the molecular formula of 3,4-亚甲二氧基亚苄基丙二腈?
The molecular formula of 3,4-亚甲二氧基亚苄基丙二腈 is C11H6N2O2.
What is the molecular weight of 3,4-亚甲二氧基亚苄基丙二腈?
The molecular weight of 3,4-亚甲二氧基亚苄基丙二腈 is 198.04 g/mol.
Where can I buy 3,4-亚甲二氧基亚苄基丙二腈?
You can request a quote for 3,4-亚甲二氧基亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-亚甲二氧基亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 3,4-亚甲二氧基亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.