CAS RN: 1074-89-1
6-Methoxypurine
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock3 grade groups
- Product code: SSC-009005
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1074-89-1 / 6-methoxy-7H-purine
6-Methoxypurine | 6-Methoxy-9H-purine | DTXSID90148041
Basic Information
CAS
1074-89-1
Multi CAS
Yes
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
SMILES
COC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey
GOILPRCCOREWQE-UHFFFAOYSA-N
Synonyms
6-Methoxypurine
6-Methoxy-9H-purine
DTXSID90148041
RefChem:104958
DTXCID4070532
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.24
TPSA
63.69
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
0.6
Consensus LogP
0.42
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
