RefChem:1073401
TL;DR: RefChem:1073401 (CAS 50280-00-7) is a chemical compound with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride
Also Known As: 6,7,8,9-Tetrahydro-5-(p-anisoyl)-8-methyl-5H-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole HCl, 5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(p-anisoyl)-8-methyl-, monohydrochloride, 5H-1,3-DIOXOLO(4,5-f)PYRIDO(4,3-b)INDOLE, 6,7,8,9-TETRAHYDRO-5-(p-ANISOYL)-8-MET, RefChem:1073401
| Molecular Formula | C21H21ClN2O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | -1.36 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.119 |
| Heavy Atoms | 28 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 50280-00-7 |
|---|---|
| SMILES | C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=C(C=C5)OC)OCO4.[Cl-] |
| InChIKey | PSEVMFYRGPTEEZ-UHFFFAOYSA-N |
Product Overview
RefChem:1073401 (CAS 50280-00-7), with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol. IUPAC: (4-methoxyphenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride.
Chemical Property Profile of RefChem:1073401
Property Insights of RefChem:1073401
The XLogP value of -1.36 indicates that RefChem:1073401 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.1 Ų, RefChem:1073401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073401 has 1 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:1073401?
The CAS number of RefChem:1073401 is 50280-00-7.
What is the molecular formula of RefChem:1073401?
The molecular formula of RefChem:1073401 is C21H21ClN2O4.
What is the molecular weight of RefChem:1073401?
The molecular weight of RefChem:1073401 is 400.12 g/mol.
Where can I buy RefChem:1073401?
You can request a quote for RefChem:1073401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073401?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.