RefChem:315891
TL;DR: RefChem:315891 (CAS 105892-14-6) is a chemical compound with molecular formula C14H21Cl2NO5S and molecular weight 385.05176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dichlorophenyl)sulfanylacetic acid
Also Known As: Acetic acid, ((2,4-dichlorophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), ((2,4-Dichlorophenyl)thio)acetic acid 2,2',2''-nitrilotris(ethanol) (1:1), [(2,4-dichlorophenyl)sulfanyl]acetic acid- 2,2',2''-nitrilotriethanol(1:1), [(2,4-Dichlorophenyl)sulfanyl]acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2,4-dichlorophenyl)sulfanylacetic acid
Technical Specifications
| Molecular Formula | C14H21Cl2NO5S |
| Molecular Weight | 385.05176 g/mol |
| XLogP | 1.44 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.05176 Da |
| Heavy Atoms | 23 |
| Complexity | 245.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)SCC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | SMDAAINTKJEVPP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:315891
Property Insights of RefChem:315891
The XLogP value of 1.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315891. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315891. Following Lipinski's Rule of Five, RefChem:315891 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
What is the CAS number of RefChem:315891?
The CAS number of RefChem:315891 is 105892-14-6.
What is the molecular formula of RefChem:315891?
The molecular formula of RefChem:315891 is C14H21Cl2NO5S.
What is the molecular weight of RefChem:315891?
The molecular weight of RefChem:315891 is 385.05176 g/mol.
Where can I buy RefChem:315891?
You can request a quote for RefChem:315891 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:315891?
Yes, CoreyChem provides custom synthesis services for RefChem:315891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.