RefChem:1060047
TL;DR: RefChem:1060047 (CAS 64059-12-7) is a chemical compound with molecular formula C12H21Cl2N3O2 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylazaniumyl)-2-(methylcarbamoyloxy)phenyl]-dimethylazanium dichloride
Also Known As: T-1811, T-1809, CARBAMIC ACID, METHYL-, 2,5-BIS(DIMETHYLAMINO)PHENYL ESTER, DIHYDROCHLORIDE, Phenol, 2,5-bis(dimethylamino)-, methylcarbamate (ester), dihydrochloride, [4-(dimethylazaniumyl)-2-(methylcarbamoyloxy)phenyl]-dimethylazanium dichloride
| Molecular Formula | C12H21Cl2N3O2 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | -7.04 |
| Topological Polar Surface Area | 47.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.10107 |
| Heavy Atoms | 19 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 64059-12-7 |
|---|---|
| SMILES | CNC(=O)OC1=C(C=CC(=C1)[NH+](C)C)[NH+](C)C.[Cl-].[Cl-] |
| InChIKey | SYIRIDFDVKGGED-UHFFFAOYSA-N |
Product Overview
RefChem:1060047 (CAS 64059-12-7), with molecular formula C12H21Cl2N3O2 and molecular weight 309.10 g/mol. IUPAC: [4-(dimethylazaniumyl)-2-(methylcarbamoyloxy)phenyl]-dimethylazanium dichloride.
Chemical Property Profile of RefChem:1060047
Property Insights of RefChem:1060047
The XLogP value of -7.04 indicates that RefChem:1060047 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.2 Ų, RefChem:1060047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060047 has 3 hydrogen bond donor(s) and 4 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:1060047?
The CAS number of RefChem:1060047 is 64059-12-7.
What is the molecular formula of RefChem:1060047?
The molecular formula of RefChem:1060047 is C12H21Cl2N3O2.
What is the molecular weight of RefChem:1060047?
The molecular weight of RefChem:1060047 is 309.10 g/mol.
Where can I buy RefChem:1060047?
You can request a quote for RefChem:1060047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060047?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.