![9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one structure](/static/products/844/844662-32-4.png)
9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
TL;DR: 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one (CAS 844662-32-4) is a chemical compound with molecular formula C28H25N5O3 and molecular weight 479.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[[(E)-benzylideneamino]oxymethyl]-5,5-dimethyl-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
Also Known As: 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one, (E)-benzaldehyde O-((9,9-dimethyl-11-oxo-12-phenyl-9,10,11,12-tetrahydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime
| Molecular Formula | C28H25N5O3 |
|---|---|
| Molecular Weight | 479.20 g/mol |
| LogP | 4.8425 |
| Topological Polar Surface Area | 90.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.19574 |
| Heavy Atoms | 36 |
| Complexity | 1506.4922 |
Chemical Identifiers
| CAS Number | 844662-32-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CO/N=C/C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C1)C |
Product Overview
9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one (CAS 844662-32-4), with molecular formula C28H25N5O3 and molecular weight 479.20 g/mol. IUPAC: 13-[[(E)-benzylideneamino]oxymethyl]-5,5-dimethyl-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.
Chemical Property Profile of 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Property Insights of 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
The XLogP value of 4.8425 indicates that 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one. Following Lipinski's Rule of Five, 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one has 0 hydrogen bond donor(s) and 7 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 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
The CAS number of 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is 844662-32-4.
What is the molecular formula of 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
The molecular formula of 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is C28H25N5O3.
What is the molecular weight of 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
The molecular weight of 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is 479.20 g/mol.
Where can I buy 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
You can request a quote for 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
Yes, KEHONG BIO provides custom synthesis services for 9,9-dimethyl-12-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.