![Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate structure](/static/products/861/861209-93-0.png)
Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate
TL;DR: Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate (CAS 861209-93-0) is a chemical compound with molecular formula C15H12ClN3O8S and molecular weight 429.00 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-(2,4-dinitrophenyl)propanedioate
Also Known As: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate, 1,3-dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate, dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate, 1,3-dimethyl2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate
| Molecular Formula | C15H12ClN3O8S |
|---|---|
| Molecular Weight | 429.00 g/mol |
| LogP | 2.4394 |
| Topological Polar Surface Area | 151.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.00336 |
| Heavy Atoms | 28 |
| Complexity | 944.5127 |
Chemical Identifiers
| CAS Number | 861209-93-0 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=C(S1)Cl)(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate (CAS 861209-93-0), with molecular formula C15H12ClN3O8S and molecular weight 429.00 g/mol. IUPAC: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate.
Chemical Property Profile of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate
Property Insights of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate
The XLogP value of 2.4394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate. The TPSA of 151.77 Ų indicates high polarity, suggesting Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate has 0 hydrogen bond donor(s) and 10 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-(2,4-dinitrophenyl)malonate?
The CAS number of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate is 861209-93-0.
What is the molecular formula of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate?
The molecular formula of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate is C15H12ClN3O8S.
What is the molecular weight of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate?
The molecular weight of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate is 429.00 g/mol.
Where can I buy Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate?
You can request a quote for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)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-(2,4-dinitrophenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.