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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
40294-35-7 / 5,6-dimethoxy-1H-benzimidazol-2-amine
Basic Information
CAS
40294-35-7
Multi CAS
No
Molecular Formula
C9H11N3O2
Molecular Weight
193.200000
Exact Mass
193.085127
InChI
InChI=1S/C9H11N3O2/c1-13-7-3-5-6(4-8(7)14-2)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12)
InChIKey
POWPTEBMSHLSRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.61
TPSA
73.16
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
H-GLY-LEU-MET-NH2 HCL
- CAS RN: 40297-96-9
- Product Code: starshine_CAS40297-96-9
- Purity/Analytical method: >99.0%
-
N-ME-PHE-OBZL P-TOSYLATE
- CAS RN: 40298-25-7
- Product Code: starshine_CAS40298-25-7
- Purity/Analytical method: >99.0%
-
