CAS RN: 925689-54-9
(S)-(-)-2-(a-methylmethanamine)-1H-benzimidazole
- Product code: SSC-206278
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
925689-54-9 / 1-(1H-benzimidazol-2-yl)ethanamine;hydrochloride
Basic Information
CAS
925689-54-9
Multi CAS
Yes
Molecular Formula
C9H12CLN3
Molecular Weight
197.660000
Exact Mass
197.071975
InChI
InChI=1S/C9H11N3.ClH/c1-6(10)9-11-7-4-2-3-5-8(7)12-9;/h2-6H,10H2,1H3,(H,11,12);1H/t6-;/m0./s1
InChIKey
HFHWHWCRHSKBOZ-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.94
TPSA
54.7
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-8-hydroxy-4H-1-benzopyran-4-one
- CAS RN: 925701-05-9
- Product Code: starshine_CAS925701-05-9
- Purity/Analytical method: >99.0%
-
KU-60019
- CAS RN: 925701-49-1
- Product Code: starshine_CAS925701-49-1
- Purity/Analytical method: >99.0%
-
-
(S)-2-(AMinoMethyl)-3-Methylbutyric acid hydrochloride
- CAS RN: 925704-47-8
- Product Code: SSC-206281
-
3-Isomangostin hydrate formate
- CAS RN: 925705-36-8
- Product Code: starshine_CAS925705-36-8
- Purity/Analytical method: >99.0%
-
(5aR,10bS)-5a,10b-dihydro-2-(2,4,6-trimethylphenyl)-4H,6HIndeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate
- CAS RN: 925706-31-6
- Product Code: SSC-206282
![CAS 925706-31-6 (5aR,10bS)-5a,10b-dihydro-2-(2,4,6-trimethylphenyl)-4H,6HIndeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/925706-31-6.gif)