2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
TL;DR: 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione (CAS 14121-47-2) is a chemical compound with molecular formula C22H17NO3S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(3-methoxypropyl)-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
Also Known As: Methoxyphenylthiobenzoesaeure, C.I.Disperse Yellow 105, Samaron Brilliant Yellow H-6GL, 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-(3-methoxypropyl)-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
| Molecular Formula | C22H17NO3S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.09293 |
| Heavy Atoms | 27 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 14121-47-2 |
|---|---|
| SMILES | COCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC=C5S4)C1=O |
| InChIKey | GIEARNNTYXJWQQ-UHFFFAOYSA-N |
Product Overview
2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione (CAS 14121-47-2), with molecular formula C22H17NO3S and molecular weight 375.09 g/mol. IUPAC: 14-(3-methoxypropyl)-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione.
Chemical Property Profile of 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
Property Insights of 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
The XLogP value of 4.1 indicates that 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 4 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 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
The CAS number of 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione is 14121-47-2.
What is the molecular formula of 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione is C22H17NO3S.
What is the molecular weight of 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione is 375.09 g/mol.
Where can I buy 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxypropyl)-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.