5-4-methyl-2-phenylthiazoleethanedisulfonate
TL;DR: 5-4-methyl-2-phenylthiazoleethanedisulfonate (CAS 36855-09-1) is a chemical compound with molecular formula C26H30Cl2N2O6S4 and molecular weight 664.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-thiazole);ethane-1,2-disulfonic acid
Also Known As: 5-4-methyl-2-phenylthiazoleethanedisulfonate, 5-(2-Chloroethyl)-4-methyl-2-phenylthiazole ethanedisulfonate (2:1), 1,2-Ethanedisulfonic acid, compd. with 5-(2-chloroethyl)-4-methyl-2-phenylthiazole (1:2), 5- -4-methyl-2-phenylthiazoleethanedisulfonate, Thiazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)
| Molecular Formula | C26H30Cl2N2O6S4 |
|---|---|
| Molecular Weight | 664.04 g/mol |
| LogP | 6.56164 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 664.0364 |
| Heavy Atoms | 40 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 36855-09-1 |
|---|---|
| SMILES | CC1=C(SC(=N1)C2=CC=CC=C2)CCCl.CC1=C(SC(=N1)C2=CC=CC=C2)CCCl.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | QISDTLRXHVGGDY-UHFFFAOYSA-N |
Product Overview
5-4-methyl-2-phenylthiazoleethanedisulfonate (CAS 36855-09-1), with molecular formula C26H30Cl2N2O6S4 and molecular weight 664.04 g/mol. IUPAC: bis(5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-thiazole);ethane-1,2-disulfonic acid.
Chemical Property Profile of 5-4-methyl-2-phenylthiazoleethanedisulfonate
Property Insights of 5-4-methyl-2-phenylthiazoleethanedisulfonate
The XLogP value of 6.56164 indicates that 5-4-methyl-2-phenylthiazoleethanedisulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting 5-4-methyl-2-phenylthiazoleethanedisulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-4-methyl-2-phenylthiazoleethanedisulfonate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-4-methyl-2-phenylthiazoleethanedisulfonate?
The CAS number of 5-4-methyl-2-phenylthiazoleethanedisulfonate is 36855-09-1.
What is the molecular formula of 5-4-methyl-2-phenylthiazoleethanedisulfonate?
The molecular formula of 5-4-methyl-2-phenylthiazoleethanedisulfonate is C26H30Cl2N2O6S4.
What is the molecular weight of 5-4-methyl-2-phenylthiazoleethanedisulfonate?
The molecular weight of 5-4-methyl-2-phenylthiazoleethanedisulfonate is 664.04 g/mol.
Where can I buy 5-4-methyl-2-phenylthiazoleethanedisulfonate?
You can request a quote for 5-4-methyl-2-phenylthiazoleethanedisulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-4-methyl-2-phenylthiazoleethanedisulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-4-methyl-2-phenylthiazoleethanedisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.