RefChem:316085
TL;DR: RefChem:316085 (CAS 87298-94-0) is a chemical compound with molecular formula C14H22ClNO7S and molecular weight 383.08 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-(4-chlorophenyl)sulfonylacetic acid
Also Known As: ((p-Chlorophenyl)sulfonyl)acetic acid 2,2',2''-nitrilotriethanol salt, Acetic acid, ((p-chlorophenyl)sulfonyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 2-[Bis(2-hydroxyethyl)amino]ethanol; 2-(4-chlorophenyl)sulfonylaceticacid, 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chlorophenyl)sulfonylacetic acid, (4-Chlorobenzene-1-sulfonyl)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
| Molecular Formula | C14H22ClNO7S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | -0.54 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 383.08054 |
| Heavy Atoms | 24 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 87298-94-0 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CC(=O)O)Cl.C(CO)N(CCO)CCO |
| InChIKey | JOFJRFDUTKHYFY-UHFFFAOYSA-N |
Product Overview
RefChem:316085 (CAS 87298-94-0), with molecular formula C14H22ClNO7S and molecular weight 383.08 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-(4-chlorophenyl)sulfonylacetic acid.
Chemical Property Profile of RefChem:316085
Property Insights of RefChem:316085
The XLogP value of -0.54 indicates that RefChem:316085 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:316085 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:316085 has 4 hydrogen bond donor(s) and 8 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:316085?
The CAS number of RefChem:316085 is 87298-94-0.
What is the molecular formula of RefChem:316085?
The molecular formula of RefChem:316085 is C14H22ClNO7S.
What is the molecular weight of RefChem:316085?
The molecular weight of RefChem:316085 is 383.08 g/mol.
Where can I buy RefChem:316085?
You can request a quote for RefChem:316085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316085?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.