苄基(间甲苯偶氮基)丙二腈
TL;DR: 苄基(间甲苯偶氮基)丙二腈 (CAS 3701-11-9) is a chemical compound with molecular formula C17H14N4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基(间甲苯偶氮基)丙二腈
2-[[(3-methylphenyl)diazenyl]-phenylmethyl]propanedinitrile
Also Known As: Benzyl(m-tolylazo)malononitrile, 3-Tolyl-azo-benzyl-malonitril, 3-Tolyl-azo-benzyl-malonitril [German], MALONONITRILE, BENZYL(m-TOLYLAZO)-, F 2297
| Molecular Formula | C17H14N4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.12186 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 3701-11-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N=NC(C2=CC=CC=C2)C(C#N)C#N |
| InChIKey | ONLUFRZLIFWLIC-UHFFFAOYSA-N |
Product Overview
苄基(间甲苯偶氮基)丙二腈 (CAS 3701-11-9), with molecular formula C17H14N4 and molecular weight 274.12 g/mol. IUPAC: 2-[[(3-methylphenyl)diazenyl]-phenylmethyl]propanedinitrile.
Chemical Property Profile of 苄基(间甲苯偶氮基)丙二腈
Property Insights of 苄基(间甲苯偶氮基)丙二腈
The XLogP value of 3.7 indicates that 苄基(间甲苯偶氮基)丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄基(间甲苯偶氮基)丙二腈. Following Lipinski's Rule of Five, 苄基(间甲苯偶氮基)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 苄基(间甲苯偶氮基)丙二腈?
The CAS number of 苄基(间甲苯偶氮基)丙二腈 is 3701-11-9.
What is the molecular formula of 苄基(间甲苯偶氮基)丙二腈?
The molecular formula of 苄基(间甲苯偶氮基)丙二腈 is C17H14N4.
What is the molecular weight of 苄基(间甲苯偶氮基)丙二腈?
The molecular weight of 苄基(间甲苯偶氮基)丙二腈 is 274.12 g/mol.
Where can I buy 苄基(间甲苯偶氮基)丙二腈?
You can request a quote for 苄基(间甲苯偶氮基)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 苄基(间甲苯偶氮基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 苄基(间甲苯偶氮基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.