RefChem:316357
TL;DR: RefChem:316357 (CAS 87299-01-2) is a chemical compound with molecular formula C28H44N2O10S3 and molecular weight 664.22 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-[4-[4-(carboxymethylsulfanyl)phenyl]sulfanylphenyl]sulfanylacetic acid
Also Known As: Acetic acid, (thiobis(p-phenylenethio))di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2), (Thiobis(p-phenylenethio))diacetic acid 2,2',2''-nitrilotriethanol salt (1:2), 2,2'-[Sulfanediylbis(4,1-phenylenesulfanediyl)]diacetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/2), 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[4-[4-(carboxymethylsulfanyl)phenyl]sulfanylphenyl]sulfanylacetic acid, RefChem:316357
| Molecular Formula | C28H44N2O10S3 |
|---|---|
| Molecular Weight | 664.22 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 278.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 664.2158 |
| Heavy Atoms | 43 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 87299-01-2 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC(=O)O)SC2=CC=C(C=C2)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO |
| InChIKey | OZUAMBGRGLTACU-UHFFFAOYSA-N |
Product Overview
RefChem:316357 (CAS 87299-01-2), with molecular formula C28H44N2O10S3 and molecular weight 664.22 g/mol. IUPAC: bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[4-[4-(carboxymethylsulfanyl)phenyl]sulfanylphenyl]sulfanylacetic acid.
Chemical Property Profile of RefChem:316357
Property Insights of RefChem:316357
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316357. The TPSA of 278.0 Ų indicates high polarity, suggesting RefChem:316357 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:316357 has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:316357?
The CAS number of RefChem:316357 is 87299-01-2.
What is the molecular formula of RefChem:316357?
The molecular formula of RefChem:316357 is C28H44N2O10S3.
What is the molecular weight of RefChem:316357?
The molecular weight of RefChem:316357 is 664.22 g/mol.
Where can I buy RefChem:316357?
You can request a quote for RefChem:316357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316357?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.