CAS RN: 1022-13-5
5-Chloro-2-(methylamino)benzophenone
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-003476
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 5g, 25g, 100g, 500g, 1000g
- Available purity: ≥99%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥99% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥99% | 3 In Stock | Beijing | Inquiry |
| 25g | ≥99% | 1 In Stock | Beijing | Inquiry |
| 100g | ≥99% | 1 In Stock | Shenzhen | Inquiry |
| 500g | ≥99% | 1 In Stock | Shanghai | Inquiry |
| 1000g | ≥99% | 1 In Stock | Beijing | Inquiry |
1022-13-5 / [5-chloro-2-(methylamino)phenyl]-phenylmethanone
2-Methylamino-5-chlorobenzophenone | Methanone, [5-chloro-2-(methylamino)phenyl]phenyl- | (5-Chloro-2-(methylamino)phenyl)phenylmethanone
Basic Information
CAS
1022-13-5
Multi CAS
Yes
Molecular Formula
C14H12ClNO
Molecular Weight
245.700000
Exact Mass
245.060742
SMILES
CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKey
WPNMLCMTDCANOZ-UHFFFAOYSA-N
Synonyms
2-Methylamino-5-chlorobenzophenone
Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-
(5-Chloro-2-(methylamino)phenyl)phenylmethanone
D4GD5770PI
Methanone, (5-chloro-2-(methylamino)phenyl)phenyl-
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.87
TPSA
29.1
LogP / Solubility
WLOGP
3.61
MLOGP
3.18
XLogP3
4.4
Consensus LogP
3.73
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly 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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
