RefChem:1073395
TL;DR: RefChem:1073395 (CAS 50280-01-8) is a chemical compound with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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)-thiophen-2-ylmethanone chloride
Also Known As: 5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(2-thenoyl)-8-methyl-, monohydrochloride, 6,7,8,9-Tetrahydro-5-(2-thenoyl)-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-(2-THENOYL)-8-MET, RefChem:1073395
| Molecular Formula | C18H17ClN2O3S |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | -1.31 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.06485 |
| Heavy Atoms | 25 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 50280-01-8 |
|---|---|
| SMILES | C[NH+]1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC=CS5)OCO4.[Cl-] |
| InChIKey | FBXHOFYRBKWOTJ-UHFFFAOYSA-N |
Product Overview
RefChem:1073395 (CAS 50280-01-8), with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol. IUPAC: (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)-thiophen-2-ylmethanone chloride.
Chemical Property Profile of RefChem:1073395
Property Insights of RefChem:1073395
The XLogP value of -1.31 indicates that RefChem:1073395 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073395. Following Lipinski's Rule of Five, RefChem:1073395 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:1073395?
The CAS number of RefChem:1073395 is 50280-01-8.
What is the molecular formula of RefChem:1073395?
The molecular formula of RefChem:1073395 is C18H17ClN2O3S.
What is the molecular weight of RefChem:1073395?
The molecular weight of RefChem:1073395 is 376.06 g/mol.
Where can I buy RefChem:1073395?
You can request a quote for RefChem:1073395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073395?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.