RefChem:326050
TL;DR: RefChem:326050 (CAS 105124-71-8) is a chemical compound with molecular formula C18H28N2O and molecular weight 288.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]propan-1-amine
Also Known As: Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-4-(3-(dimethylamino)propyl)-, trans-, 2,3,4,4a,5,6,7,11b-Octahydro-4-(3-(dimethylamino)propyl)benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 3-[(4aS,11bS)-2,3,5,6,7,11b-Hexahydrobenzo[6,7]cyclohepta[1,2-b][1,4]oxazin-4(4aH)-yl]-N,N-dimethylpropan-1-amine, RefChem:326050
| Molecular Formula | C18H28N2O |
|---|---|
| Molecular Weight | 288.22 g/mol |
| LogP | 2.7165 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.22015 |
| Heavy Atoms | 21 |
| Complexity | 460.28647 |
Chemical Identifiers
| CAS Number | 105124-71-8 |
|---|---|
| SMILES | CN(C)CCCN1CCO[C@@H]2[C@@H]1CCCC3=CC=CC=C23 |
Product Overview
RefChem:326050 (CAS 105124-71-8), with molecular formula C18H28N2O and molecular weight 288.22 g/mol. IUPAC: N,N-dimethyl-3-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]propan-1-amine.
Chemical Property Profile of RefChem:326050
Property Insights of RefChem:326050
The XLogP value of 2.7165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326050. With a topological polar surface area (TPSA) of 15.71 Ų, RefChem:326050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326050 has 0 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:326050?
The CAS number of RefChem:326050 is 105124-71-8.
What is the molecular formula of RefChem:326050?
The molecular formula of RefChem:326050 is C18H28N2O.
What is the molecular weight of RefChem:326050?
The molecular weight of RefChem:326050 is 288.22 g/mol.
Where can I buy RefChem:326050?
You can request a quote for RefChem:326050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.