RefChem:1075656
TL;DR: RefChem:1075656 (CAS 87299-02-3) is a chemical compound with molecular formula C22H40N2O10S2 and molecular weight 556.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[3-(carboxymethylsulfanyl)phenyl]sulfanylacetic acid
Also Known As: Acetic acid, (m-phenylenedithio)di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2), (m-Phenylenedithio)diacetic acid 2,2',2''-nitrilotriethanol salt (1:2), 2,2'-(1,3-Phenylenedisulfanediyl)diacetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/2), 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[3-(carboxymethylsulfanyl)phenyl]sulfanylacetic acid, 2,2'-[1,3-Phenylenebis(sulfanediyl)]diacetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/2)
| Molecular Formula | C22H40N2O10S2 |
|---|---|
| Molecular Weight | 556.21 g/mol |
| LogP | -1.43 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 556.21246 |
| Heavy Atoms | 36 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 87299-02-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCC(=O)O)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO |
| InChIKey | RCMKDDAHAROQBY-UHFFFAOYSA-N |
Product Overview
RefChem:1075656 (CAS 87299-02-3), with molecular formula C22H40N2O10S2 and molecular weight 556.21 g/mol. IUPAC: bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[3-(carboxymethylsulfanyl)phenyl]sulfanylacetic acid.
Chemical Property Profile of RefChem:1075656
Property Insights of RefChem:1075656
The XLogP value of -1.43 indicates that RefChem:1075656 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting RefChem:1075656 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075656 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1075656?
The CAS number of RefChem:1075656 is 87299-02-3.
What is the molecular formula of RefChem:1075656?
The molecular formula of RefChem:1075656 is C22H40N2O10S2.
What is the molecular weight of RefChem:1075656?
The molecular weight of RefChem:1075656 is 556.21 g/mol.
Where can I buy RefChem:1075656?
You can request a quote for RefChem:1075656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075656?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.