RefChem:326587
TL;DR: RefChem:326587 (CAS 73150-36-4) is a chemical compound with molecular formula C19H26Cl2N2O2S and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(4-azaniumylphenyl)sulfanylmethyl]benzoyl]oxypropyl-dimethylazanium dichloride
Also Known As: 3-Dimethylaminopropyl 2-(4-aminophenylthiomethyl)benzoate dihydrochloride monohydrate, 2-(((4-Aminophenyl)thio)methyl)benzoic acid 3-(dimethylamino)propyl ester HCl hydrate (1:2:1), Benzoic acid, 2-(((4-aminophenyl)thio)methyl)-, 3-(dimethylamino)propyl ester, hydrochloride,hydrate (1:2:1), 3-[2-[(4-azaniumylphenyl)sulfanylmethyl]benzoyl]oxypropyl-dimethylazanium dichloride, RefChem:326587
| Molecular Formula | C19H26Cl2N2O2S |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | -4.45 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.1092 |
| Heavy Atoms | 26 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 73150-36-4 |
|---|---|
| SMILES | C[NH+](C)CCCOC(=O)C1=CC=CC=C1CSC2=CC=C(C=C2)[NH3+].[Cl-].[Cl-] |
| InChIKey | QRZKGSRIICILEA-UHFFFAOYSA-N |
Product Overview
RefChem:326587 (CAS 73150-36-4), with molecular formula C19H26Cl2N2O2S and molecular weight 416.11 g/mol. IUPAC: 3-[2-[(4-azaniumylphenyl)sulfanylmethyl]benzoyl]oxypropyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:326587
Property Insights of RefChem:326587
The XLogP value of -4.45 indicates that RefChem:326587 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326587. Following Lipinski's Rule of Five, RefChem:326587 has 2 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 RefChem:326587?
The CAS number of RefChem:326587 is 73150-36-4.
What is the molecular formula of RefChem:326587?
The molecular formula of RefChem:326587 is C19H26Cl2N2O2S.
What is the molecular weight of RefChem:326587?
The molecular weight of RefChem:326587 is 416.11 g/mol.
Where can I buy RefChem:326587?
You can request a quote for RefChem:326587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.