C22H30NO.2ClH.1/2H2O
TL;DR: C22H30NO.2ClH.1/2H2O (CAS 73826-59-2) is a chemical compound with molecular formula C22H32Cl2N2O and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ium-4-ylethyl-[(E)-2-naphthalen-1-ylhex-4-enyl]azanium dichloride
Also Known As: C22H30NO.2ClH.1/2H2O, C22-H30-N-O.2Cl-H.1/2H2-O, 1-Naphthaleneethylamine, beta-(2-butenyl)-N-(2-morpholinoethyl)-, dihydrochloride, hemihydrat, 4-Hexenylamine, N-(2-morpholinoethyl)-2-(1-naphthyl)-, dihydrochloride, hemihydrate, beta-(2-Butenyl)-N-(2-morpholinoethyl)-1-naphthaleneethylamine dihydrochloride hemihydrate
| Molecular Formula | C22H32Cl2N2O |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | -4.6239 |
| Topological Polar Surface Area | 30.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.18918 |
| Heavy Atoms | 27 |
| Complexity | 681.572 |
Chemical Identifiers
| CAS Number | 73826-59-2 |
|---|---|
| SMILES | C/C=C/CC(C[NH2+]CC[NH+]1CCOCC1)C2=CC=CC3=CC=CC=C32.[Cl-].[Cl-] |
Product Overview
C22H30NO.2ClH.1/2H2O (CAS 73826-59-2), with molecular formula C22H32Cl2N2O and molecular weight 410.19 g/mol. IUPAC: 2-morpholin-4-ium-4-ylethyl-[(E)-2-naphthalen-1-ylhex-4-enyl]azanium dichloride.
Chemical Property Profile of C22H30NO.2ClH.1/2H2O
Property Insights of C22H30NO.2ClH.1/2H2O
The XLogP value of -4.6239 indicates that C22H30NO.2ClH.1/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.28 Ų, C22H30NO.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H30NO.2ClH.1/2H2O has 2 hydrogen bond donor(s) and 1 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 C22H30NO.2ClH.1/2H2O?
The CAS number of C22H30NO.2ClH.1/2H2O is 73826-59-2.
What is the molecular formula of C22H30NO.2ClH.1/2H2O?
The molecular formula of C22H30NO.2ClH.1/2H2O is C22H32Cl2N2O.
What is the molecular weight of C22H30NO.2ClH.1/2H2O?
The molecular weight of C22H30NO.2ClH.1/2H2O is 410.19 g/mol.
Where can I buy C22H30NO.2ClH.1/2H2O?
You can request a quote for C22H30NO.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H30NO.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C22H30NO.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.