CAS RN: 6779-87-9
7,8-DIHYDRO-L-BIOPTERIN
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250305 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Guangdong | 5-7 business days | Inquiry |
- Product code: starshine_CAS6779-87-9
- Purity/Analytical Methods: >99.0%
6779-87-9 / 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one
Basic Information
CAS
6779-87-9
Multi CAS
Yes
Molecular Formula
C9H13N5O3
Molecular Weight
239.230000
Exact Mass
239.101839
InChI
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKey
FEMXZDUTFRTWPE-DZSWIPIPSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
5
Molar refractivity
62.54
TPSA
136.62
LogP / Solubility
WLOGP
-1.41
MLOGP
-1.23
XLogP3
-2.2
Consensus LogP
-1.61
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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