6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione
TL;DR: 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione (CAS 80900-25-0) is a chemical compound with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thia-6,10,15,17,19,21-hexazatetracyclo[13.6.1.16,10.018,22]tricosa-1(21),7,16,18(22),19-pentaene-9,23-dione
Also Known As: 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione, 2-Thia-6,10,15,17,19,21-hexazatetracyclo[13.6.1.16,10.018,22]tricosa-1(21),7,16,18(22),19-pentaene-9,23-dione
| Molecular Formula | C16H18N6O2S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 358.1212 |
| Heavy Atoms | 25 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 80900-25-0 |
|---|---|
| SMILES | C1CCN2C(=O)C=CN(C2=O)CCCSC3=NC=NC4=C3N(C1)C=N4 |
| InChIKey | NBGVCCIYJCBQLF-UHFFFAOYSA-N |
Product Overview
6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione (CAS 80900-25-0), with molecular formula C16H18N6O2S and molecular weight 358.12 g/mol. IUPAC: 2-thia-6,10,15,17,19,21-hexazatetracyclo[13.6.1.16,10.018,22]tricosa-1(21),7,16,18(22),19-pentaene-9,23-dione.
Chemical Property Profile of 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione
Property Insights of 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione. Following Lipinski's Rule of Five, 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione has 0 hydrogen bond donor(s) and 6 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 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione?
The CAS number of 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione is 80900-25-0.
What is the molecular formula of 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione?
The molecular formula of 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione is C16H18N6O2S.
What is the molecular weight of 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione?
The molecular weight of 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione is 358.12 g/mol.
Where can I buy 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione?
You can request a quote for 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione?
Yes, KEHONG BIO provides custom synthesis services for 6~2~H,6~4~H-2-Thia-1(6,7)-purina-6(1,3)-pyrimidinacyclodecaphane-6~2~,6~4~-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.