RefChem:315877
TL;DR: RefChem:315877 (CAS 87298-89-3) is a chemical compound with molecular formula C10H19Cl2NO5S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,2-dichloroethenylsulfanyl)acetic acid
Also Known As: ((2,2-Dichlorovinyl)thio)acetic acid 2,2',2''-nitrilotriethanol salt, Acetic acid, ((2,2-dichlorovinyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 2-[Bis(2-hydroxyethyl)amino]ethanol;2-(2,2-dichloroethenylsulfanyl)acetic acid, [(2,2-Dichloroethen-1-yl)sulfanyl]acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2,2-dichloroethenylsulfanyl)acetic acid
| Molecular Formula | C10H19Cl2NO5S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 0.35 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.0361 |
| Heavy Atoms | 19 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 87298-89-3 |
|---|---|
| SMILES | C(CO)N(CCO)CCO.C(C(=O)O)SC=C(Cl)Cl |
| InChIKey | DKQROXUCOSPLOZ-UHFFFAOYSA-N |
Product Overview
RefChem:315877 (CAS 87298-89-3), with molecular formula C10H19Cl2NO5S and molecular weight 335.04 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,2-dichloroethenylsulfanyl)acetic acid.
Chemical Property Profile of RefChem:315877
Property Insights of RefChem:315877
The XLogP value of 0.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315877. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315877. Following Lipinski's Rule of Five, RefChem:315877 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:315877?
The CAS number of RefChem:315877 is 87298-89-3.
What is the molecular formula of RefChem:315877?
The molecular formula of RefChem:315877 is C10H19Cl2NO5S.
What is the molecular weight of RefChem:315877?
The molecular weight of RefChem:315877 is 335.04 g/mol.
Where can I buy RefChem:315877?
You can request a quote for RefChem:315877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315877?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.