CAS RN: 175530-52-6
1H-Benzimidazole-2-methanamine,5-methoxy-(9CI)
- Product code: SSC-077013
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 | Shenzhen | Inquiry |
175530-52-6 / (6-methoxy-1H-benzimidazol-2-yl)methanamine
Basic Information
CAS
175530-52-6
Multi CAS
No
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
SMILES
COC1=CC2=C(C=C1)N=C(N2)CN
InChI
InChI=1S/C9H11N3O/c1-13-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)
InChIKey
FVXQBRISRBHAAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.54
TPSA
63.93
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.07
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
-
![CAS 175531-13-2 tert-butyl 2-(broMoMethyl)-1H-benzo[d]iMidazole-1-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 2-(broMoMethyl)-1H-benzo[d]iMidazole-1-carboxylate
- CAS RN: 175531-13-2
- Product Code: SSC-077014
-
N-BOC-2-methylbenzimidazole
- CAS RN: 175531-34-7
- Product Code: starshine_CAS175531-34-7
- Purity/Analytical method: >99.0%
-
-
Ethyl 2,2-Difluoro-2-(4-fluorophenyl)acetate
- CAS RN: 175543-23-4
- Product Code: SSC-077018
-
Longifloroside A
- CAS RN: 175556-08-8
- Product Code: starshine_CAS175556-08-8
- Purity/Analytical method: >99.0%
-
![CAS 175531-13-2 tert-butyl 2-(broMoMethyl)-1H-benzo[d]iMidazole-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175531-13-2.gif)
