![Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate structure](/static/products/6851/685108-33-2.webp)
Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate
TL;DR: Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate (CAS 685108-33-2) is a chemical compound with molecular formula C14H12ClN3O6S and molecular weight 385.01 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-(5-nitro-2-pyridinyl)propanedioate
Also Known As: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate, 1,3-dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitropyridin-2-yl)propanedioate, dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitropyridin-2-yl)propanedioate, 1,3-Dimethyl 2-[(2-chloro-5-thiazolyl)methyl]-2-(5-nitro-2-pyridinyl)propanedioate, 1,3-dimethyl2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitropyridin-2-yl)propanedioate
| Molecular Formula | C14H12ClN3O6S |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 1.9262 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.01352 |
| Heavy Atoms | 25 |
| Complexity | 791.1533 |
Chemical Identifiers
| CAS Number | 685108-33-2 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=C(S1)Cl)(C2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate (CAS 685108-33-2), with molecular formula C14H12ClN3O6S and molecular weight 385.01 g/mol. IUPAC: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)propanedioate.
Chemical Property Profile of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate
Property Insights of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate
The XLogP value of 1.9262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate has 0 hydrogen bond donor(s) and 9 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-(5-nitro-2-pyridinyl)malonate?
The CAS number of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate is 685108-33-2.
What is the molecular formula of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate?
The molecular formula of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate is C14H12ClN3O6S.
What is the molecular weight of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate?
The molecular weight of Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate is 385.01 g/mol.
Where can I buy Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate?
You can request a quote for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)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-(5-nitro-2-pyridinyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.