3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile
TL;DR: 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile (CAS 118644-90-9) is a chemical compound with molecular formula C9H6ClN5O2 and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile
Also Known As: 3-amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile, NCI60_029263, A2397/0101495, 2-Cyclopentene-1,1,2-tricarbonitrile,3-amino-4-chloro-5-methyl-4-nitro-, 2-Amino-3-nitro-3-chloro-4-methyl-1,5,5-tricyano-1-cyclopentene
| Molecular Formula | C9H6ClN5O2 |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.021 |
| Heavy Atoms | 17 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 118644-90-9 |
|---|---|
| SMILES | CC1C(C(=C(C1([N+](=O)[O-])Cl)N)C#N)(C#N)C#N |
| InChIKey | CWRGCDKIXIGGAV-UHFFFAOYSA-N |
Product Overview
3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile (CAS 118644-90-9), with molecular formula C9H6ClN5O2 and molecular weight 251.02 g/mol. IUPAC: 3-amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile.
Chemical Property Profile of 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile
Property Insights of 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile. The TPSA of 143.0 Ų indicates high polarity, suggesting 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile has 1 hydrogen bond donor(s) and 6 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-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile?
The CAS number of 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile is 118644-90-9.
What is the molecular formula of 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile?
The molecular formula of 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile is C9H6ClN5O2.
What is the molecular weight of 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile?
The molecular weight of 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile is 251.02 g/mol.
Where can I buy 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile?
You can request a quote for 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.