Almokalant
TL;DR: Almokalant (CAS 123955-10-2) is a chemical compound with molecular formula C18H28N2O3S and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile
Also Known As: Almokalant, Almokalantum, Almoklant, Almokalant [INN], Almokalantum [INN-Latin]
| Molecular Formula | C18H28N2O3S |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.16868 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 352.18207 |
| Heavy Atoms | 24 |
| Complexity | 528.06055 |
Chemical Identifiers
| CAS Number | 123955-10-2 |
|---|---|
| SMILES | CCCS(=O)CCCN(CC)CC(COC1=CC=C(C=C1)C#N)O |
Product Overview
Almokalant (CAS 123955-10-2), with molecular formula C18H28N2O3S and molecular weight 352.18 g/mol. IUPAC: 4-[3-[ethyl(3-propylsulfinylpropyl)amino]-2-hydroxypropoxy]benzonitrile.
Chemical Property Profile of Almokalant
Property Insights of Almokalant
The XLogP value of 2.16868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Almokalant. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Almokalant. Following Lipinski's Rule of Five, Almokalant has 1 hydrogen bond donor(s) and 5 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 Almokalant?
The CAS number of Almokalant is 123955-10-2.
What is the molecular formula of Almokalant?
The molecular formula of Almokalant is C18H28N2O3S.
What is the molecular weight of Almokalant?
The molecular weight of Almokalant is 352.18 g/mol.
Where can I buy Almokalant?
You can request a quote for Almokalant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Almokalant?
Yes, KEHONG BIO provides custom synthesis services for Almokalant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.