CAS RN: 81196-09-0
BOC-(4-AMINOPHENYL)ACETIC ACID
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: SSC-189743
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: 1g, 5g, 10g, 100g, 25g, 0.25g, 500g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 100g | -- | 3 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 500g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
81196-09-0 / 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
Basic Information
CAS
81196-09-0
Multi CAS
Yes
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
InChI
InChI=1S/C13H17NO4/c1-3-14-13(16)9-18-11-6-5-10(8-15)7-12(11)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKey
AIXZVWKVCPEYLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.18
TPSA
64.63
LogP / Solubility
WLOGP
1.41
MLOGP
1.25
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
L-VALINE-1-13C
- CAS RN: 81201-85-6
- Product Code: starshine_CAS81201-85-6
- Purity/Analytical method: >99.0%
-
L-PHENYLALANINE (1-13C)
- CAS RN: 81201-86-7
- Product Code: starshine_CAS81201-86-7
- Purity/Analytical method: >99.0%
-
L-GLUTAMIC ACID (1-13C)
- CAS RN: 81201-99-2
- Product Code: starshine_CAS81201-99-2
- Purity/Analytical method: >99.0%
-
(1-Oxyl-2,2,5,5-tetramethyl–pyrroline-3-methyl) Methanethiosulfonate
- CAS RN: 81213-52-7
- Product Code: starshine_CAS81213-52-7
- Purity/Analytical method: >99.0%
-
