CAS RN: 38061-36-8
2-(2-NAPHTHYL)-2-OXO-1-ETHANAMINIUM CHLORIDE
- Product code: SSC-145563
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
38061-36-8 / 2-amino-1-naphthalen-2-ylethanone;hydrochloride
Basic Information
CAS
38061-36-8
Multi CAS
No
Molecular Formula
C12H12CLNO
Molecular Weight
221.680000
Exact Mass
221.060742
InChI
InChI=1S/C12H11NO.ClH/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8,13H2;1H
InChIKey
ABUOEFHIWKRZFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.58
TPSA
43.09
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-Isoxazolecarboxylicacid,4-methyl-,ethylester(9CI)
- CAS RN: 38061-69-7
- Product Code: SSC-145564
-
H-LEU-HIS-OH
- CAS RN: 38062-72-5
- Product Code: starshine_CAS38062-72-5
- Purity/Analytical method: >99.0%
-
-
-
-
