STBT
TL;DR: STBT (CAS 150669-69-5) is a chemical compound with molecular formula C34H36IN3O10S and molecular weight 805.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid iodide
Also Known As: STBT, 1-(5-(2-(2-N-Ethylbenzothiazolinium)ethenyl)-2-aminophenoxy)-2-(2-amino-5-methylphenoxy)ethane-N,N,N',N'-tetraacetic acid, 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid iodide, 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid,iodide, 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid;iodide
| Molecular Formula | C34H36IN3O10S |
|---|---|
| Molecular Weight | 805.12 g/mol |
| LogP | 1.10052 |
| Topological Polar Surface Area | 178.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 805.11664 |
| Heavy Atoms | 49 |
| Complexity | 1812.2095 |
Chemical Identifiers
| CAS Number | 150669-69-5 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)N(CC(=O)O)CC(=O)O)OCCOC4=C(C=CC(=C4)C)N(CC(=O)O)CC(=O)O.[I-] |
Product Overview
STBT (CAS 150669-69-5), with molecular formula C34H36IN3O10S and molecular weight 805.12 g/mol. IUPAC: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid iodide.
Chemical Property Profile of STBT
Property Insights of STBT
The XLogP value of 1.10052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for STBT. The TPSA of 178.02 Ų indicates high polarity, suggesting STBT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, STBT has 4 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 STBT?
The CAS number of STBT is 150669-69-5.
What is the molecular formula of STBT?
The molecular formula of STBT is C34H36IN3O10S.
What is the molecular weight of STBT?
The molecular weight of STBT is 805.12 g/mol.
Where can I buy STBT?
You can request a quote for STBT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for STBT?
Yes, KEHONG BIO provides custom synthesis services for STBT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.