12M-545S
TL;DR: 12M-545S (CAS 477859-62-4) is a chemical compound with molecular formula C14H13FN4O2S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate
Also Known As: 12M-545S, 1-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate, 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate, 1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}ethyl N-(4-fluorophenyl)carbamate, 1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}ethylN-(4-fluorophenyl)carbamate
| Molecular Formula | C14H13FN4O2S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 3.54802 |
| Topological Polar Surface Area | 68.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0743 |
| Heavy Atoms | 22 |
| Complexity | 811.9771 |
Chemical Identifiers
| CAS Number | 477859-62-4 |
|---|---|
| SMILES | CC1=C(SC2=NC=NN12)C(C)OC(=O)NC3=CC=C(C=C3)F |
Product Overview
12M-545S (CAS 477859-62-4), with molecular formula C14H13FN4O2S and molecular weight 320.07 g/mol. IUPAC: 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate.
Chemical Property Profile of 12M-545S
Property Insights of 12M-545S
The XLogP value of 3.54802 indicates that 12M-545S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 12M-545S. Following Lipinski's Rule of Five, 12M-545S has 1 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 12M-545S?
The CAS number of 12M-545S is 477859-62-4.
What is the molecular formula of 12M-545S?
The molecular formula of 12M-545S is C14H13FN4O2S.
What is the molecular weight of 12M-545S?
The molecular weight of 12M-545S is 320.07 g/mol.
Where can I buy 12M-545S?
You can request a quote for 12M-545S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12M-545S?
Yes, KEHONG BIO provides custom synthesis services for 12M-545S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.