Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester
TL;DR: Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester (CAS 39905-46-9) 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 2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)benzoate
Also Known As: (E)-oct-6-en-2-one, methyl 2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)benzoate, Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester, Methyl 2-methoxy-5-(4-methyl-2-thiazolyl)benzoate, 5-(4-Methyl-2-thiazolyl)-2-methoxy-benzoesaeure methyl ester
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 39905-46-9 |
|---|---|
| SMILES | CC1=CSC(=N1)C2=CC(=C(C=C2)OC)C(=O)OC |
| InChIKey | NTXFYBSZHPXZEJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester (CAS 39905-46-9), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: methyl 2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)benzoate.
Chemical Property Profile of Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester
Property Insights of Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester 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 Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester?
The CAS number of Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester is 39905-46-9.
What is the molecular formula of Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester is C13H13NO3S.
What is the molecular weight of Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester is 263.06 g/mol.
Where can I buy Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-methoxy-5-(4-methyl-2-thiazolyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.