RefChem:1050985
TL;DR: RefChem:1050985 (CAS 27474-99-3) is a chemical compound with molecular formula C13H28ClN3O4 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-bis[2-(propylcarbamoyloxy)ethyl]azanium chloride
Also Known As: CARBAMIC ACID, PROPYL-, DIESTER with (METHYLIMINO)DIETHANOL, HYDROCHLORIDE, Ethanol, 2,2'-(methylimino)di-, bis(propylcarbamate), hydrochloride, methyl-bis[2-(propylcarbamoyloxy)ethyl]azanium chloride, Carbamic acid, propyl-, (methylimino)diethylene ester, monohydrochloride, (Methylazanediyl)di(ethane-2,1-diyl) bis(hydrogen propylcarbonimidate)--hydrogen chloride (1/1)
| Molecular Formula | C13H28ClN3O4 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | -3.22 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 325.17682 |
| Heavy Atoms | 21 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 27474-99-3 |
|---|---|
| SMILES | CCCNC(=O)OCC[NH+](C)CCOC(=O)NCCC.[Cl-] |
| InChIKey | XLYKXOIPZQNYMZ-UHFFFAOYSA-N |
Product Overview
RefChem:1050985 (CAS 27474-99-3), with molecular formula C13H28ClN3O4 and molecular weight 325.18 g/mol. IUPAC: methyl-bis[2-(propylcarbamoyloxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:1050985
Property Insights of RefChem:1050985
The XLogP value of -3.22 indicates that RefChem:1050985 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1050985. Following Lipinski's Rule of Five, RefChem:1050985 has 3 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:1050985?
The CAS number of RefChem:1050985 is 27474-99-3.
What is the molecular formula of RefChem:1050985?
The molecular formula of RefChem:1050985 is C13H28ClN3O4.
What is the molecular weight of RefChem:1050985?
The molecular weight of RefChem:1050985 is 325.18 g/mol.
Where can I buy RefChem:1050985?
You can request a quote for RefChem:1050985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1050985?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1050985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.