![11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/4617/461714-01-2.webp)
11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one (CAS 461714-01-2) is a chemical compound with molecular formula C15H12N4OS and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C15H12N4OS |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 2.2239 |
| Topological Polar Surface Area | 60.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.07318 |
| Heavy Atoms | 21 |
| Complexity | 895.1728 |
Chemical Identifiers
| CAS Number | 461714-01-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C=N3)/N=C\C4=CN=CC=C4 |
Product Overview
11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one (CAS 461714-01-2), with molecular formula C15H12N4OS and molecular weight 296.07 g/mol. IUPAC: 11-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 2.2239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one. The TPSA of 60.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one. Following Lipinski's Rule of Five, 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one has 0 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 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one is 461714-01-2.
What is the molecular formula of 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one is C15H12N4OS.
What is the molecular weight of 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one is 296.07 g/mol.
Where can I buy 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one?
You can request a quote for 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 11-[(E)-[(pyridin-3-yl)methylidene]amino]-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.