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Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
TL;DR: Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate (CAS 325987-74-4) is a chemical compound with molecular formula C13H8N2O4S2 and molecular weight 319.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
Also Known As: benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate, AB00684074-01, F0193-0081, (1,3-benzothiazol-2-yl)methyl 5-nitro-2-thenoate, 1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
| Molecular Formula | C13H8N2O4S2 |
|---|---|
| Molecular Weight | 319.99 g/mol |
| LogP | 3.623 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.99255 |
| Heavy Atoms | 21 |
| Complexity | 791.3104 |
Chemical Identifiers
| CAS Number | 325987-74-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate (CAS 325987-74-4), with molecular formula C13H8N2O4S2 and molecular weight 319.99 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate.
Chemical Property Profile of Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
Property Insights of Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate
The XLogP value of 3.623 indicates that Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 7 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 Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate?
The CAS number of Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate is 325987-74-4.
What is the molecular formula of Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate?
The molecular formula of Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate is C13H8N2O4S2.
What is the molecular weight of Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate?
The molecular weight of Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate is 319.99 g/mol.
Where can I buy Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate?
You can request a quote for Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[d]thiazol-2-ylmethyl 5-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.