3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole
TL;DR: 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole (CAS 64445-55-2) is a chemical compound with molecular formula C12H13NO5S3 and molecular weight 347.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-3,5-bis(methylsulfonyl)-1,2-thiazole
Also Known As: 9H-Purine-9-carboxamide,6-amino-N-methyl, 4-(4-methoxyphenyl)-3,5-bis(methylsulfonyl)-1,2-thiazole, 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole, 3,5-bis-methanesulfonyl-4-(4-methoxy-phenyl)-isothiazole, Isothiazole, 4-(4-methoxyphenyl)-3,5-bis(methylsulfonyl)-
| Molecular Formula | C12H13NO5S3 |
|---|---|
| Molecular Weight | 347.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.99557 |
| Heavy Atoms | 21 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 64445-55-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(SN=C2S(=O)(=O)C)S(=O)(=O)C |
| InChIKey | MYFMNASOXPOQPS-UHFFFAOYSA-N |
Product Overview
3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole (CAS 64445-55-2), with molecular formula C12H13NO5S3 and molecular weight 347.00 g/mol. IUPAC: 4-(4-methoxyphenyl)-3,5-bis(methylsulfonyl)-1,2-thiazole.
Chemical Property Profile of 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole
Property Insights of 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole. Following Lipinski's Rule of Five, 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole has 0 hydrogen bond donor(s) and 7 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-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole?
The CAS number of 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole is 64445-55-2.
What is the molecular formula of 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole?
The molecular formula of 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole is C12H13NO5S3.
What is the molecular weight of 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole?
The molecular weight of 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole is 347.00 g/mol.
Where can I buy 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole?
You can request a quote for 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di(methanesulfonyl)-4-(4-methoxyphenyl)-1,2-thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.