CAS RN: 183619-38-7
CPI-1189
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-084944
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
183619-38-7 / 4-acetamido-N-tert-butylbenzamide
Basic Information
CAS
183619-38-7
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C
InChI
InChI=1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKey
DJKNRCWSXSZACF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.96
TPSA
58.2
LogP / Solubility
WLOGP
2.17
MLOGP
1.92
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
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
-
1-N-BOC-4-(3-CARBOXY-4-NITROPHENYL)PIPERAZINE
- CAS RN: 183622-36-8
- Product Code: SSC-084949
-
D-Mannitol, 1,4:3,6-dianhydro-2-O-(phenylmethyl)-
- CAS RN: 183624-93-3
- Product Code: SSC-084951
-
(3aR,7aS)-Hexahydro-3a-hydroxy-6(2H)-benzofuranone
- CAS RN: 183626-28-0
- Product Code: starshine_CAS183626-28-0
- Purity/Analytical method: >99.0%
-
-
4-(4-METHOXYPHENYL)ISOXAZOL-5-AMINE
- CAS RN: 183666-47-9
- Product Code: starshine_CAS183666-47-9
- Purity/Analytical method: >99.0%
-
![CAS 183668-02-2 4-imidazo[2,1-b][1,3]thiazol-6-ylaniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/183668-02-2.gif)