![Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate structure](/static/products/6851/685108-30-9.webp)
Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate
TL;DR: Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate (CAS 685108-30-9) is a chemical compound with molecular formula C15H13ClN2O6S and molecular weight 384.02 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-(4-nitrophenyl)propanedioate
Also Known As: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate, 1,3-dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)propanedioate, dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)propanedioate, Dimethyl [(2-chloro-1,3-thiazol-5-yl)methyl](4-nitrophenyl)propanedioate, Dimethyl 2-(2-chloro-1,3-thiazol-5-yl)methyl-2-(4-nitrophenyl)malonate
| Molecular Formula | C15H13ClN2O6S |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 2.5312 |
| Topological Polar Surface Area | 108.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.01828 |
| Heavy Atoms | 25 |
| Complexity | 788.60785 |
Chemical Identifiers
| CAS Number | 685108-30-9 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=C(S1)Cl)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate (CAS 685108-30-9), with molecular formula C15H13ClN2O6S and molecular weight 384.02 g/mol. IUPAC: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)propanedioate.
Chemical Property Profile of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate
Property Insights of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate
The XLogP value of 2.5312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate. 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-(4-nitrophenyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)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-(4-nitrophenyl)malonate?
The CAS number of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate is 685108-30-9.
What is the molecular formula of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate?
The molecular formula of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate is C15H13ClN2O6S.
What is the molecular weight of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate?
The molecular weight of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate is 384.02 g/mol.
Where can I buy Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate?
You can request a quote for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)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-(4-nitrophenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-nitrophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.