(4-氯-3-硝基亚苄基)丙二腈
TL;DR: (4-氯-3-硝基亚苄基)丙二腈 (CAS 27508-35-6) 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.
(4-氯-3-硝基亚苄基)丙二腈
2-[(4-chloro-3-nitrophenyl)methylidene]propanedinitrile
Also Known As: 4-Chloro-3-nitrobenzylidenemalononitrile, (4-Chloro-3-nitrobenzylidene)malononitrile, MALONONITRILE, (4-CHLORO-3-NITROBENZYLIDENE)-, 3-09-00-04384 (Beilstein Handbook Reference), (4-chloro-3-nitrobenzylidene)propanedinitrile
| 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 | 27508-35-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C(C#N)C#N)[N+](=O)[O-])Cl |
| InChIKey | JRODTAYHOOTVGS-UHFFFAOYSA-N |
Product Overview
(4-氯-3-硝基亚苄基)丙二腈 (CAS 27508-35-6), with molecular formula C10H4ClN3O2 and molecular weight 233.00 g/mol. IUPAC: 2-[(4-chloro-3-nitrophenyl)methylidene]propanedinitrile.
Chemical Property Profile of (4-氯-3-硝基亚苄基)丙二腈
Property Insights of (4-氯-3-硝基亚苄基)丙二腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-氯-3-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 (4-氯-3-硝基亚苄基)丙二腈. Following Lipinski's Rule of Five, (4-氯-3-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 (4-氯-3-硝基亚苄基)丙二腈?
The CAS number of (4-氯-3-硝基亚苄基)丙二腈 is 27508-35-6.
What is the molecular formula of (4-氯-3-硝基亚苄基)丙二腈?
The molecular formula of (4-氯-3-硝基亚苄基)丙二腈 is C10H4ClN3O2.
What is the molecular weight of (4-氯-3-硝基亚苄基)丙二腈?
The molecular weight of (4-氯-3-硝基亚苄基)丙二腈 is 233.00 g/mol.
Where can I buy (4-氯-3-硝基亚苄基)丙二腈?
You can request a quote for (4-氯-3-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 (4-氯-3-硝基亚苄基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (4-氯-3-硝基亚苄基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.