Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate
TL;DR: Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate (CAS 338409-55-5) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate
Also Known As: 3H-432S, methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate, methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzenecarboxylate
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.91372 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 560.11536 |
Chemical Identifiers
| CAS Number | 338409-55-5 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)OC)OC |
Product Overview
Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate (CAS 338409-55-5), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate.
Chemical Property Profile of Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate
Property Insights of Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate
The XLogP value of 2.91372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate. With a topological polar surface area (TPSA) of 48.42 Ų, Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate 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 Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The CAS number of Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate is 338409-55-5.
What is the molecular formula of Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The molecular formula of Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate is C13H13NO3S.
What is the molecular weight of Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The molecular weight of Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate is 263.06 g/mol.
Where can I buy Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate?
You can request a quote for Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-methoxy-5-methyl-1,3-thiazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.