RefChem:305488
TL;DR: RefChem:305488 (CAS 13055-76-0) is a chemical compound with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethanamine;hydrochloride
Also Known As: 5H-Dibenzo(a,d)cyclohepta-1,4-diene, 5-(2-methylaminoethyloxyimino)-, hydrochloride, 5-(2-Methylaminoethyloxyimino)-5H-dibenzo(a,d)cyclohepta-1,4-diene hydrochloride, 2-[(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ylideneamino)oxy]-n-methylethanamine hydrochloride(1:1), 2-{[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)amino]oxy}-N-methylethan-1-amine--hydrogen chloride (1/1), 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-, O-[2-(methylamino)ethyl]oxime, monohydrochloride
| Molecular Formula | C18H21ClN2O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.13425 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 13055-76-0 |
|---|---|
| SMILES | CNCCON=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl |
| InChIKey | UMCKJJCBTBMEEW-UHFFFAOYSA-N |
Product Overview
RefChem:305488 (CAS 13055-76-0), with molecular formula C18H21ClN2O and molecular weight 316.13 g/mol. IUPAC: N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethanamine;hydrochloride.
Chemical Property Profile of RefChem:305488
Property Insights of RefChem:305488
The XLogP value of 3.2 indicates that RefChem:305488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.6 Ų, RefChem:305488 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305488 has 2 hydrogen bond donor(s) and 3 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:305488?
The CAS number of RefChem:305488 is 13055-76-0.
What is the molecular formula of RefChem:305488?
The molecular formula of RefChem:305488 is C18H21ClN2O.
What is the molecular weight of RefChem:305488?
The molecular weight of RefChem:305488 is 316.13 g/mol.
Where can I buy RefChem:305488?
You can request a quote for RefChem:305488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305488?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.