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 |
1163-67-3 / [3-(phenylcarbamoyl)naphthalen-2-yl] acetate
3-Acetoxy-2-naphthanilide | 2-(N-Phenylcarbamoyl)-3-naphthyl acetate | 2-Naphthalenecarboxamide, 3-(acetyloxy)-N-phenyl-
Basic Information
CAS
1163-67-3
Multi CAS
Yes
Molecular Formula
C19H15NO3
Molecular Weight
305.300000
Exact Mass
305.105193
SMILES
CC(=O)OC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22)
InChIKey
CVJGNNYDVQYHEO-UHFFFAOYSA-N
Synonyms
3-Acetoxy-2-naphthanilide
2-(N-Phenylcarbamoyl)-3-naphthyl acetate
2-Naphthalenecarboxamide, 3-(acetyloxy)-N-phenyl-
2-Acetoxy-3-naphthoic Acid Anilide
[3-(phenylcarbamoyl)naphthalen-2-yl] acetate
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.65
TPSA
55.4
LogP / Solubility
WLOGP
4.02
MLOGP
3.55
XLogP3
3.8
Consensus LogP
3.79
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.7%): 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
