(3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 852306-61-7) is a chemical compound with molecular formula C16H19NO3S and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, (3,5-Dimethylisoxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, N/A
| Molecular Formula | C16H19NO3S |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 3.83474 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.10855 |
| Heavy Atoms | 21 |
| Complexity | 651.61523 |
Chemical Identifiers
| CAS Number | 852306-61-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC=C2C(=O)OCC3=C(ON=C3C)C |
Product Overview
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 852306-61-7), with molecular formula C16H19NO3S and molecular weight 305.11 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.83474 indicates that (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 852306-61-7.
What is the molecular formula of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C16H19NO3S.
What is the molecular weight of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 305.11 g/mol.
Where can I buy (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.