C20H27NO3.ClH.1/2H2O
TL;DR: C20H27NO3.ClH.1/2H2O (CAS 73825-89-5) is a chemical compound with molecular formula C40H58Cl2N2O7 and molecular weight 748.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-(diethylamino)-3-[2-(2-methylphenoxy)phenoxy]propan-2-ol);hydrate;dihydrochloride
Also Known As: C20H27NO3.ClH.1/2H2O, C20-H27-N-O3.Cl-H.1/2H2-O, o-(3-Diethylamino-2-hydroxypropoxy)phenyl o-tolyl ether hydrochloride hemihydrate, 2-Propanol, 1-diethylamino-3-(o-(o-tolyloxy)phenoxy)-, hydrochloride, hemihydrate, Ether, o-(3-diethylamino-2-hydropropoxy)phenyl o-tolyl, hydrochloride, hemihydrate
| Molecular Formula | C40H58Cl2N2O7 |
|---|---|
| Molecular Weight | 748.36 g/mol |
| LogP | 7.75654 |
| Topological Polar Surface Area | 115.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 748.3621 |
| Heavy Atoms | 51 |
| Complexity | 1377.6458 |
Chemical Identifiers
| CAS Number | 73825-89-5 |
|---|---|
| SMILES | CCN(CC)CC(COC1=CC=CC=C1OC2=CC=CC=C2C)O.CCN(CC)CC(COC1=CC=CC=C1OC2=CC=CC=C2C)O.O.Cl.Cl |
Product Overview
C20H27NO3.ClH.1/2H2O (CAS 73825-89-5), with molecular formula C40H58Cl2N2O7 and molecular weight 748.36 g/mol. IUPAC: bis(1-(diethylamino)-3-[2-(2-methylphenoxy)phenoxy]propan-2-ol);hydrate;dihydrochloride.
Chemical Property Profile of C20H27NO3.ClH.1/2H2O
Property Insights of C20H27NO3.ClH.1/2H2O
The XLogP value of 7.75654 indicates that C20H27NO3.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.36 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H27NO3.ClH.1/2H2O. Following Lipinski's Rule of Five, C20H27NO3.ClH.1/2H2O has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H27NO3.ClH.1/2H2O?
The CAS number of C20H27NO3.ClH.1/2H2O is 73825-89-5.
What is the molecular formula of C20H27NO3.ClH.1/2H2O?
The molecular formula of C20H27NO3.ClH.1/2H2O is C40H58Cl2N2O7.
What is the molecular weight of C20H27NO3.ClH.1/2H2O?
The molecular weight of C20H27NO3.ClH.1/2H2O is 748.36 g/mol.
Where can I buy C20H27NO3.ClH.1/2H2O?
You can request a quote for C20H27NO3.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H27NO3.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H27NO3.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.