CAS RN: 37854-59-4
RO 08-2750
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS37854-59-4
- Purity/Analytical Methods: >99.0%
37854-59-4 / 7,10-dimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde
Basic Information
CAS
37854-59-4
Multi CAS
Yes
Molecular Formula
C13H10N4O3
Molecular Weight
270.240000
Exact Mass
270.075290
InChI
InChI=1S/C13H10N4O3/c1-6-3-8-9(4-7(6)5-18)17(2)11-10(14-8)12(19)16-13(20)15-11/h3-5H,1-2H3,(H,16,19,20)
InChIKey
JDEMVNYMYPJJIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.15
TPSA
97.71
LogP / Solubility
WLOGP
0.24
MLOGP
0.22
XLogP3
0.3
Consensus LogP
0.25
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
