RefChem:217885
TL;DR: RefChem:217885 (CAS 52401-15-7) is a chemical compound with molecular formula C14H22Cl2N2O3 and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(2-morpholin-4-ium-4-ylethyl)-1,3-benzodioxol-5-yl]azanium dichloride
Also Known As: C14H20N2O3.2ClH.1/2H2O, C14-H20-N2-O3.2Cl-H.1/2H2-O, 1,3-Benzodioxole, 5-amino-2-methyl-2-(2-morpholinoethyl)-, dihydrochloride, hemihydrate, 4-(2-(5-Amino-2-methyl-1,3-benzodioxol-2-yl)ethyl)morpholine dihydrochloride hemihydrate, 5-Amino-2-methyl-2-(2-morpholinoethyl)-1,3-benzodioxole dihydrochloride hemihydrate
| Molecular Formula | C14H22Cl2N2O3 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | -6.64 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.10074 |
| Heavy Atoms | 21 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 52401-15-7 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C=C2)[NH3+])CC[NH+]3CCOCC3.[Cl-].[Cl-] |
| InChIKey | MUEKSYGVLDVJKT-UHFFFAOYSA-N |
Product Overview
RefChem:217885 (CAS 52401-15-7), with molecular formula C14H22Cl2N2O3 and molecular weight 336.10 g/mol. IUPAC: [2-methyl-2-(2-morpholin-4-ium-4-ylethyl)-1,3-benzodioxol-5-yl]azanium dichloride.
Chemical Property Profile of RefChem:217885
Property Insights of RefChem:217885
The XLogP value of -6.64 indicates that RefChem:217885 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.8 Ų, RefChem:217885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:217885 has 2 hydrogen bond donor(s) and 5 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:217885?
The CAS number of RefChem:217885 is 52401-15-7.
What is the molecular formula of RefChem:217885?
The molecular formula of RefChem:217885 is C14H22Cl2N2O3.
What is the molecular weight of RefChem:217885?
The molecular weight of RefChem:217885 is 336.10 g/mol.
Where can I buy RefChem:217885?
You can request a quote for RefChem:217885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.