RefChem:315890
TL;DR: RefChem:315890 (CAS 102582-96-7) is a chemical compound with molecular formula C14H21Cl2NO7S and molecular weight 417.04 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-(2,4-dichlorophenyl)sulfonylacetic acid
Also Known As: ((2,4-Dichlorophenyl)sulfonyl)acetic acid triethanolamine, Acetic acid, ((2,4-dichlorophenyl)sulfonyl)-, compd. with 2,2',2''-nitrilotrisethanol (1:1), ((2,4-Dichlorophenyl)sulfonyl)acetic acid compd. with 2,2',2''-nitrilotrisethanol (1:1), 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dichlorophenyl)sulfonylacetic acid, (2,4-Dichlorobenzene-1-sulfonyl)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
| Molecular Formula | C14H21Cl2NO7S |
|---|---|
| Molecular Weight | 417.04 g/mol |
| LogP | 0.12 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.04156 |
| Heavy Atoms | 25 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 102582-96-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | VFLJQTRTWFKESS-UHFFFAOYSA-N |
Product Overview
RefChem:315890 (CAS 102582-96-7), with molecular formula C14H21Cl2NO7S and molecular weight 417.04 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dichlorophenyl)sulfonylacetic acid.
Chemical Property Profile of RefChem:315890
Property Insights of RefChem:315890
The XLogP value of 0.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315890. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:315890 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315890 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:315890?
The CAS number of RefChem:315890 is 102582-96-7.
What is the molecular formula of RefChem:315890?
The molecular formula of RefChem:315890 is C14H21Cl2NO7S.
What is the molecular weight of RefChem:315890?
The molecular weight of RefChem:315890 is 417.04 g/mol.
Where can I buy RefChem:315890?
You can request a quote for RefChem:315890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315890?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.