Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester
TL;DR: Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester (CAS 76995-60-3) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)phenyl] thiocyanate
Also Known As: Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester, [4-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)phenyl] thiocyanate, 8-(4-thiocyanatophenyl)-1,8-diazabicyclo[4.3.0]nonane-7,9-dione, 4-(1,3-Dioxohexahydroimidazo[1,5-a]pyridin-2(3H)-yl)phenyl thiocyanate, Thiocyanic acid,4-(hexahydro-1,3-dioxoimidazo[1,5-a]pyridin-2(3H)-yl)phenyl ester
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 76995-60-3 |
|---|---|
| SMILES | C1CCN2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC#N |
| InChIKey | NMYZGUPUILDNQW-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester (CAS 76995-60-3), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: [4-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester
Property Insights of Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester has 0 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 Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester?
The CAS number of Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester is 76995-60-3.
What is the molecular formula of Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester?
The molecular formula of Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester is C14H13N3O2S.
What is the molecular weight of Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester?
The molecular weight of Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester is 287.07 g/mol.
Where can I buy Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester?
You can request a quote for Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.