![[?]thione structure](/static/products/634/63484-74-2.png)
[?]thione
TL;DR: [?]thione (CAS 63484-74-2) is a chemical compound with molecular formula C16H9N5S and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15,16,18,19,21-pentazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,19-nonaene-17-thione
Also Known As: [?]thione|Maybridge1_005646|Oprea1_224228|DivK1c_001934|HMS557I14|CDS1_000894|AF-826/30391058|15,16,18,19,21-Pentazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,19-nonaene-17-thione|Phenanthro[9,10-e][1,2,4]triazolo[4,3-b][1,2,4]triazine-12(11H)-thione|11H-9,9a,11,12,13-Pentaaza-cyclopenta[b]triphenylene-10-thione|11H-phenanthro[9,10-e][1,2,4]triazolo[4,3-b][1,2,4]triazine-|15,16,18,19,21-pentazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene-17-thiol
| Molecular Formula | C16H9N5S |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 3.64149 |
| Topological Polar Surface Area | 58.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.05786 |
| Heavy Atoms | 22 |
| Complexity | 1251.5662 |
Chemical Identifiers
| CAS Number | 63484-74-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C4=NN5C(=S)NN=C5N=C24 |
Product Overview
[?]thione (CAS 63484-74-2), with molecular formula C16H9N5S and molecular weight 303.06 g/mol. IUPAC: 15,16,18,19,21-pentazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,19-nonaene-17-thione.
Chemical Property Profile of [?]thione
Property Insights of [?]thione
The XLogP value of 3.64149 indicates that [?]thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.87 Ų, [?]thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [?]thione 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 [?]thione?
The CAS number of [?]thione is 63484-74-2.
What is the molecular formula of [?]thione?
The molecular formula of [?]thione is C16H9N5S.
What is the molecular weight of [?]thione?
The molecular weight of [?]thione is 303.06 g/mol.
Where can I buy [?]thione?
You can request a quote for [?]thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [?]thione?
Yes, KEHONG BIO provides custom synthesis services for [?]thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.