(5-氯-2-硝基亚苄基)丙二腈
TL;DR: (5-氯-2-硝基亚苄基)丙二腈 (CAS 37053-95-5) is a chemical compound with molecular formula C10H4ClN3O2 and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-氯-2-硝基亚苄基)丙二腈
2-[(5-chloro-2-nitrophenyl)methylidene]propanedinitrile
Also Known As: 2-Nitro-5-chlorobenzylidenemalononitrile, 2-(5-Chloro-2-nitrobenzylidene)malononitrile, MALONONITRILE, (5-CHLORO-2-NITROBENZYLIDENE)-, 2-[(5-chloro-2-nitrophenyl)methylidene]propanedinitrile, [(5-Chloro-2-nitrophenyl)methylene]malononitrile
| Molecular Formula | C10H4ClN3O2 |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.9992 |
| Heavy Atoms | 16 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 37053-95-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C=C(C#N)C#N)[N+](=O)[O-] |
| InChIKey | MUIMNNXACJFJHJ-UHFFFAOYSA-N |
Product Overview
(5-氯-2-硝基亚苄基)丙二腈 (CAS 37053-95-5), with molecular formula C10H4ClN3O2 and molecular weight 233.00 g/mol. IUPAC: 2-[(5-chloro-2-nitrophenyl)methylidene]propanedinitrile.
Chemical Property Profile of (5-氯-2-硝基亚苄基)丙二腈
Property Insights of (5-氯-2-硝基亚苄基)丙二腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-氯-2-硝基亚苄基)丙二腈. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-氯-2-硝基亚苄基)丙二腈. Following Lipinski's Rule of Five, (5-氯-2-硝基亚苄基)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 (5-氯-2-硝基亚苄基)丙二腈?
The CAS number of (5-氯-2-硝基亚苄基)丙二腈 is 37053-95-5.
What is the molecular formula of (5-氯-2-硝基亚苄基)丙二腈?
The molecular formula of (5-氯-2-硝基亚苄基)丙二腈 is C10H4ClN3O2.
What is the molecular weight of (5-氯-2-硝基亚苄基)丙二腈?
The molecular weight of (5-氯-2-硝基亚苄基)丙二腈 is 233.00 g/mol.
Where can I buy (5-氯-2-硝基亚苄基)丙二腈?
You can request a quote for (5-氯-2-硝基亚苄基)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 (5-氯-2-硝基亚苄基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (5-氯-2-硝基亚苄基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.