![dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate structure](/static/products/866/866135-82-2.png)
dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate
TL;DR: dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate (CAS 866135-82-2) is a chemical compound with molecular formula C14H11Cl2N3O4 and molecular weight 355.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[1-(3,4-dichlorophenyl)triazol-4-yl]methylidene]propanedioate
Also Known As: dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate, 7X-0901, 1,3-dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylidene}propanedioate, dimethyl 2-[[1-(3,4-dichlorophenyl)triazol-4-yl]methylidene]propanedioate, dimethyl 2-[[1-(3,4-dichlorophenyl)triazol-4-yl]methylene]propanedioate
| Molecular Formula | C14H11Cl2N3O4 |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 2.3035 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.01266 |
| Heavy Atoms | 23 |
| Complexity | 768.0796 |
Chemical Identifiers
| CAS Number | 866135-82-2 |
|---|---|
| SMILES | COC(=O)C(=CC1=CN(N=N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OC |
Product Overview
dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate (CAS 866135-82-2), with molecular formula C14H11Cl2N3O4 and molecular weight 355.01 g/mol. IUPAC: dimethyl 2-[[1-(3,4-dichlorophenyl)triazol-4-yl]methylidene]propanedioate.
Chemical Property Profile of dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate
Property Insights of dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate
The XLogP value of 2.3035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate. Following Lipinski's Rule of Five, dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate has 0 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 dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate?
The CAS number of dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate is 866135-82-2.
What is the molecular formula of dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate?
The molecular formula of dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate is C14H11Cl2N3O4.
What is the molecular weight of dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate?
The molecular weight of dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate is 355.01 g/mol.
Where can I buy dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate?
You can request a quote for dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-{[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methylene}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.