CAS RN: 676135-18-5
1-(3-Bromophenyl)-1-methylethylamine hydrochloride
- Product code: SSC-177320
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 | Beijing | Inquiry |
676135-18-5 / 2-(3-bromophenyl)propan-2-amine;hydrochloride
Basic Information
CAS
676135-18-5
Multi CAS
No
Molecular Formula
C9H13BRCLN
Molecular Weight
250.560000
Exact Mass
248.991990
InChI
InChI=1S/C9H12BrN.ClH/c1-9(2,11)7-4-3-5-8(10)6-7;/h3-6H,11H2,1-2H3;1H
InChIKey
UXGIUUWHZBFBAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.6
TPSA
26.02
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
3.06
Consensus LogP
2.94
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
(S)-7-Bromo-1,2,3,4-tetrahydronaphthalen-1-amine
- CAS RN: 676135-95-8
- Product Code: SSC-177321
-
(S)-5-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE
- CAS RN: 676136-31-5
- Product Code: SSC-177322
-
9,9′-spirobi[fluorene]-2,2′-diyldiboronic acid pinacol ester
- CAS RN: 676168-63-1
- Product Code: starshine_CAS676168-63-1
- Purity/Analytical method: >99.0%
-
-
-
7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE)
- CAS RN: 676247-93-1
- Product Code: starshine_CAS676247-93-1
- Purity/Analytical method: >99.0%
![CAS 676168-63-1 9,9′-spirobi[fluorene]-2,2′-diyldiboronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/676168-63-1.gif)
![CAS 676245-12-8 [4-(1-PYRROLIDINYL)PHENYL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/676245-12-8.gif)
![CAS 676247-93-1 7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/676247-93-1.gif)