RefChem:315975
TL;DR: RefChem:315975 (CAS 105892-12-4) is a chemical compound with molecular formula C18H28ClNO5S and molecular weight 405.13766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfanylacetic acid;3-[1-(hydroxymethylamino)cyclohexyl]oxypropan-1-ol
Also Known As: ((4-Chlorophenyl)thio)acetic acid 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy-1-propanol (1:1), Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy)-1-propanol (1:1), 2-(4-chlorophenyl)sulfanylacetic acid;3-[1-(hydroxymethylamino)cyclohexyl]oxypropan-1-ol, ((4-Chlorophenyl)thio)aceticacid3-((1-(hydroxymethyl)amino)cyclohexyl)oxy-1-propanol(1:1), 2-(4-chlorophenyl)sulfanylacetic acid; 3-[1-(hydroxymethylamino)cyclohexyl]oxypropan-1-ol
Technical Specifications
| Molecular Formula | C18H28ClNO5S |
| Molecular Weight | 405.13766 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.13766 Da |
| Heavy Atoms | 26 |
| Complexity | 301.0 |
| SMILES | C1CCC(CC1)(NCO)OCCCO.C1=CC(=CC=C1SCC(=O)O)Cl |
| InChIKey | ZPSPDMSTNVYGKP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:315975
Property Insights of RefChem:315975
The XLogP value of 3.1 indicates that RefChem:315975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315975. Following Lipinski's Rule of Five, RefChem:315975 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:315975?
The CAS number of RefChem:315975 is 105892-12-4.
What is the molecular formula of RefChem:315975?
The molecular formula of RefChem:315975 is C18H28ClNO5S.
What is the molecular weight of RefChem:315975?
The molecular weight of RefChem:315975 is 405.13766 g/mol.
Where can I buy RefChem:315975?
You can request a quote for RefChem:315975 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:315975?
Yes, CoreyChem provides custom synthesis services for RefChem:315975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.