![dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate structure](/static/products/861/861209-82-7.png)
dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate
TL;DR: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate (CAS 861209-82-7) is a chemical compound with molecular formula C16H12ClF3N2O6S and molecular weight 452.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate
Also Known As: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate, dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate, 1,3-dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate, 1,3-dimethyl2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate
| Molecular Formula | C16H12ClF3N2O6S |
|---|---|
| Molecular Weight | 452.01 g/mol |
| LogP | 3.55 |
| Topological Polar Surface Area | 108.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.00568 |
| Heavy Atoms | 29 |
| Complexity | 946.372 |
Chemical Identifiers
| CAS Number | 861209-82-7 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=C(S1)Cl)(C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OC |
Product Overview
dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate (CAS 861209-82-7), with molecular formula C16H12ClF3N2O6S and molecular weight 452.01 g/mol. IUPAC: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate.
Chemical Property Profile of dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate
Property Insights of dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate
The XLogP value of 3.55 indicates that dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.63 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate. Following Lipinski's Rule of Five, dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate has 0 hydrogen bond donor(s) and 8 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-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate?
The CAS number of dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate is 861209-82-7.
What is the molecular formula of dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate?
The molecular formula of dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate is C16H12ClF3N2O6S.
What is the molecular weight of dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate?
The molecular weight of dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate is 452.01 g/mol.
Where can I buy dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate?
You can request a quote for dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]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-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.