RefChem:1071894
TL;DR: RefChem:1071894 (CAS 53955-25-2) is a chemical compound with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(3E)-3-(5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride
Also Known As: 4H-Benzo(5,6)cyclohept(1,2-d)oxazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (E)-, RefChem:1071894
| Molecular Formula | C18H23ClN2O |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | -0.94808 |
| Topological Polar Surface Area | 30.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.1499 |
| Heavy Atoms | 22 |
| Complexity | 673.47675 |
Chemical Identifiers
| CAS Number | 53955-25-2 |
|---|---|
| SMILES | CC1=NC\2=C(O1)CCC3=CC=CC=C3/C2=C\CC[NH+](C)C.[Cl-] |
Product Overview
RefChem:1071894 (CAS 53955-25-2), with molecular formula C18H23ClN2O and molecular weight 318.15 g/mol. IUPAC: dimethyl-[(3E)-3-(5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propyl]azanium chloride.
Chemical Property Profile of RefChem:1071894
Property Insights of RefChem:1071894
The XLogP value of -0.94808 indicates that RefChem:1071894 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.47 Ų, RefChem:1071894 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071894 has 1 hydrogen bond donor(s) and 2 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:1071894?
The CAS number of RefChem:1071894 is 53955-25-2.
What is the molecular formula of RefChem:1071894?
The molecular formula of RefChem:1071894 is C18H23ClN2O.
What is the molecular weight of RefChem:1071894?
The molecular weight of RefChem:1071894 is 318.15 g/mol.
Where can I buy RefChem:1071894?
You can request a quote for RefChem:1071894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071894?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.