![18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine structure](/static/products/3271/327169-44-8.webp)
18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine
TL;DR: 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine (CAS 327169-44-8) is a chemical compound with molecular formula C15H19N3S and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-imine
Also Known As: 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine, BAS 00584459, 1,3,4,6,7,8,9,10-Octahydro-2H-12-thia-5a,11-diaza-cyclohepta[b]fluoren-5-ylideneamine, BIM-0016500.P001, AB00079477-01
| Molecular Formula | C15H19N3S |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 3.18247 |
| Topological Polar Surface Area | 41.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.12997 |
| Heavy Atoms | 19 |
| Complexity | 695.4591 |
Chemical Identifiers
| CAS Number | 327169-44-8 |
|---|---|
| SMILES | C1CCC2=NC3=C(C4=C(S3)CCCC4)C(=N)N2CC1 |
Product Overview
18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine (CAS 327169-44-8), with molecular formula C15H19N3S and molecular weight 273.13 g/mol. IUPAC: 18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-imine.
Chemical Property Profile of 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine
Property Insights of 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine
The XLogP value of 3.18247 indicates that 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.67 Ų, 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine has 1 hydrogen bond donor(s) and 3 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 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine?
The CAS number of 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine is 327169-44-8.
What is the molecular formula of 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine?
The molecular formula of 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine is C15H19N3S.
What is the molecular weight of 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine?
The molecular weight of 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine is 273.13 g/mol.
Where can I buy 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine?
You can request a quote for 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine?
Yes, KEHONG BIO provides custom synthesis services for 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.