KW 5805
TL;DR: KW 5805 (CAS 95968-62-0) is a chemical compound with molecular formula C19H28Cl3N3O and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine;trihydrochloride
Also Known As: KW 5805, 5-((2-(Diethylamino)ethyl)amino)-5,11-dihydro(1)-benzoxepino(3,4-b)pyridine, 1,2-Ethanediamine, N,N-diethyl-N'-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-, hydrochloride, hydrate (1:3:1), 5-(2-(Diethylamino)ethyl)amino-5,11-dihydro(1)-benzoxepino(3,4-b)pyridine 3HCl hydrate, 5-(2-(Diethylamino)ethyl)amino-5,11-dihydro(1)-benzoxepino(3,4-b)pyridine trihydrochloride
| Molecular Formula | C19H28Cl3N3O |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.2602 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1298 |
| Heavy Atoms | 26 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 95968-62-0 |
|---|---|
| SMILES | CCN(CC)CCNC1C2=C(COC3=CC=CC=C13)N=CC=C2.Cl.Cl.Cl |
| InChIKey | IXGYBSQLXMSBBH-UHFFFAOYSA-N |
Product Overview
KW 5805 (CAS 95968-62-0), with molecular formula C19H28Cl3N3O and molecular weight 419.13 g/mol. IUPAC: N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine;trihydrochloride.
Chemical Property Profile of KW 5805
Property Insights of KW 5805
The XLogP value of 4.2602 indicates that KW 5805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, KW 5805 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KW 5805 has 4 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 KW 5805?
The CAS number of KW 5805 is 95968-62-0.
What is the molecular formula of KW 5805?
The molecular formula of KW 5805 is C19H28Cl3N3O.
What is the molecular weight of KW 5805?
The molecular weight of KW 5805 is 419.13 g/mol.
Where can I buy KW 5805?
You can request a quote for KW 5805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KW 5805?
Yes, KEHONG BIO provides custom synthesis services for KW 5805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.