2,7-二氨基噻吨酮-5,5-二氧化物
TL;DR: 2,7-二氨基噻吨酮-5,5-二氧化物 (CAS 54105-68-9) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-二氨基噻吨酮-5,5-二氧化物
2,7-diamino-10,10-dioxothioxanthen-9-one
Also Known As: 2,8-Diaminothiaxanthone-5-dioxide, Thioxanthen-9-one, 2,7-diamino-, 5,5-dioxide, 2,7-Diaminothioxanthen-9-one 5,5-dioxide, 2,7-diamino-10,10-dioxothioxanthen-9-one, 4-18-00-07964 (Beilstein Handbook Reference)
| Molecular Formula | C13H10N2O3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.0412 |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 54105-68-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)C(=O)C3=C(S2(=O)=O)C=CC(=C3)N |
| InChIKey | ZPBBGGSLVCAGMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,7-二氨基噻吨酮-5,5-二氧化物 (CAS 54105-68-9), with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol. IUPAC: 2,7-diamino-10,10-dioxothioxanthen-9-one.
Chemical Property Profile of 2,7-二氨基噻吨酮-5,5-二氧化物
Property Insights of 2,7-二氨基噻吨酮-5,5-二氧化物
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-二氨基噻吨酮-5,5-二氧化物. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-二氨基噻吨酮-5,5-二氧化物. Following Lipinski's Rule of Five, 2,7-二氨基噻吨酮-5,5-二氧化物 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 2,7-二氨基噻吨酮-5,5-二氧化物?
The CAS number of 2,7-二氨基噻吨酮-5,5-二氧化物 is 54105-68-9.
What is the molecular formula of 2,7-二氨基噻吨酮-5,5-二氧化物?
The molecular formula of 2,7-二氨基噻吨酮-5,5-二氧化物 is C13H10N2O3S.
What is the molecular weight of 2,7-二氨基噻吨酮-5,5-二氧化物?
The molecular weight of 2,7-二氨基噻吨酮-5,5-二氧化物 is 274.04 g/mol.
Where can I buy 2,7-二氨基噻吨酮-5,5-二氧化物?
You can request a quote for 2,7-二氨基噻吨酮-5,5-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-二氨基噻吨酮-5,5-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 2,7-二氨基噻吨酮-5,5-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.