RefChem:316336
TL;DR: RefChem:316336 (CAS 87298-99-5) is a chemical compound with molecular formula C28H44N2O11S2 and molecular weight 648.24 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)phenoxy]phenyl]sulfanylacetic acid
Also Known As: (Oxybis(p-phenylenethio))diacetic acid 2,2',2''-nitrilotriethanol (1:2), Acetic acid, (oxybis(p-phenylenethio))di-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2), 2,2'-[Oxybis(4,1-phenylenesulfanediyl)]diacetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/2), 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[4-[4-(carboxymethylsulfanyl)phenoxy]phenyl]sulfanylacetic acid, RefChem:316336
| Molecular Formula | C28H44N2O11S2 |
|---|---|
| Molecular Weight | 648.24 g/mol |
| LogP | 0.36 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 648.23865 |
| Heavy Atoms | 43 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 87298-99-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=CC=C(C=C2)SCC(=O)O)SCC(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO |
| InChIKey | OYNLMOCUDVLTRC-UHFFFAOYSA-N |
Product Overview
RefChem:316336 (CAS 87298-99-5), with molecular formula C28H44N2O11S2 and molecular weight 648.24 g/mol. IUPAC: bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[4-[4-(carboxymethylsulfanyl)phenoxy]phenyl]sulfanylacetic acid.
Chemical Property Profile of RefChem:316336
Property Insights of RefChem:316336
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316336. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:316336 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:316336 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:316336?
The CAS number of RefChem:316336 is 87298-99-5.
What is the molecular formula of RefChem:316336?
The molecular formula of RefChem:316336 is C28H44N2O11S2.
What is the molecular weight of RefChem:316336?
The molecular weight of RefChem:316336 is 648.24 g/mol.
Where can I buy RefChem:316336?
You can request a quote for RefChem:316336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316336?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.