2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
TL;DR: 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione (CAS 52204-19-0) is a chemical compound with molecular formula C18H10N2O2S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-amino-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: 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2H-Azepin-2-one,7,7'-methylenebis[hexahydro, 2-Amino-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 1H-Thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-amino-, 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-amino-
| Molecular Formula | C18H10N2O2S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.0463 |
| Heavy Atoms | 23 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 52204-19-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)N)S2 |
| InChIKey | BSICVDWEIBOGJV-UHFFFAOYSA-N |
Product Overview
2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione (CAS 52204-19-0), with molecular formula C18H10N2O2S and molecular weight 318.05 g/mol. IUPAC: 14-amino-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-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
Property Insights of 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
The XLogP value of 3.2 indicates that 2-Amino-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 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione has 1 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-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
The CAS number of 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione is 52204-19-0.
What is the molecular formula of 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
The molecular formula of 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione is C18H10N2O2S.
What is the molecular weight of 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
The molecular weight of 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione is 318.05 g/mol.
Where can I buy 2-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
You can request a quote for 2-Amino-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-Amino-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-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.