4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate
TL;DR: 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate (CAS 253774-66-2) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(thiadiazol-4-yl)phenyl] 4-methoxybenzoate
Also Known As: 4-(1,2,3-thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate, 4-(1,2,3-thiadiazol-4-yl)phenyl 4-methoxybenzoate, [4-(thiadiazol-4-yl)phenyl] 4-methoxybenzoate, 10L-034, 4-(1,2,3-thiadiazol-4-yl)phenyl4-methoxybenzoate
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.4329 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 753.09973 |
Chemical Identifiers
| CAS Number | 253774-66-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CSN=N3 |
Product Overview
4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate (CAS 253774-66-2), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: [4-(thiadiazol-4-yl)phenyl] 4-methoxybenzoate.
Chemical Property Profile of 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate
Property Insights of 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate
The XLogP value of 3.4329 indicates that 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate. Following Lipinski's Rule of Five, 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate has 0 hydrogen bond donor(s) and 6 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 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate?
The CAS number of 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate is 253774-66-2.
What is the molecular formula of 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate?
The molecular formula of 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate is C16H12N2O3S.
What is the molecular weight of 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate?
The molecular weight of 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate is 312.06 g/mol.
Where can I buy 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate?
You can request a quote for 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,2,3-Thiadiazol-4-yl)phenyl 4-methoxybenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.