methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate
TL;DR: methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate (CAS 524040-24-2) is a chemical compound with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate
Also Known As: J2.559.193C, methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate, F3375-0494, A2867/0120848, methyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate
| Molecular Formula | C9H10N4O2S |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.05244 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 524040-24-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N2C=NN=N2)C |
| InChIKey | BDPXNDMSSXDKDG-UHFFFAOYSA-N |
Product Overview
methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate (CAS 524040-24-2), with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol. IUPAC: methyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate.
Chemical Property Profile of methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate
Property Insights of methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate 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 methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate?
The CAS number of methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate is 524040-24-2.
What is the molecular formula of methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate?
The molecular formula of methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate is C9H10N4O2S.
What is the molecular weight of methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate?
The molecular weight of methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate is 238.05 g/mol.
Where can I buy methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate?
You can request a quote for methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,5-dimethyl-2-(1H-tetrazol-1-yl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.