Thiangazole
TL;DR: Thiangazole (CAS 138667-71-7) is a chemical compound with molecular formula C26H29N5O2S3 and molecular weight 539.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide
Also Known As: Thiangazole, (-)-Thiangazole, Thiangazole A, N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide, 4-Oxazolecarboxamide,2-(4,4',4'',5,5',5''-hexahydro-4,4',4''-trimethyl-2''-(2-phenylethenyl)(2,4':2',4''-terthiazol)-4-yl)-N,5-dimethyl-, (4R-(2(2'(2''(E),4''S*),4'S*),4R*))-
| Molecular Formula | C26H29N5O2S3 |
|---|---|
| Molecular Weight | 539.15 g/mol |
| LogP | 5.22452 |
| Topological Polar Surface Area | 92.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.1483 |
| Heavy Atoms | 36 |
| Complexity | 1318.0869 |
Chemical Identifiers
| CAS Number | 138667-71-7 |
|---|---|
| SMILES | CC1=C(N=C(O1)[C@@]2(CSC(=N2)[C@@]3(CSC(=N3)[C@@]4(CSC(=N4)/C=C/C5=CC=CC=C5)C)C)C)C(=O)NC |
Product Overview
Thiangazole (CAS 138667-71-7), with molecular formula C26H29N5O2S3 and molecular weight 539.15 g/mol. IUPAC: N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide.
Chemical Property Profile of Thiangazole
Property Insights of Thiangazole
The XLogP value of 5.22452 indicates that Thiangazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiangazole. Following Lipinski's Rule of Five, Thiangazole has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiangazole?
The CAS number of Thiangazole is 138667-71-7.
What is the molecular formula of Thiangazole?
The molecular formula of Thiangazole is C26H29N5O2S3.
What is the molecular weight of Thiangazole?
The molecular weight of Thiangazole is 539.15 g/mol.
Where can I buy Thiangazole?
You can request a quote for Thiangazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiangazole?
Yes, KEHONG BIO provides custom synthesis services for Thiangazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.