CAS RN: 19178-37-1
2-amino-5-chloro-N-methylbenzamide(SALTDATA: FREE)
- Product code: SSC-089812
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 |
19178-37-1 / 2-amino-5-chloro-N-methylbenzamide
Basic Information
CAS
19178-37-1
Multi CAS
No
Molecular Formula
C8H9ClN2O
Molecular Weight
184.620000
Exact Mass
184.040341
SMILES
CNC(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C8H9ClN2O/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChIKey
SHOFEQJWALLTLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.25
TPSA
55.12
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.3
Consensus LogP
1.24
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
![CAS 19179-12-5 HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19179-12-5.gif)
