CAS RN: 23876-18-8
2-(2-Methyl-6-nitrophenyl)acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251220 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-116690
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
23876-18-8 / 2-(2-methyl-6-nitrophenyl)acetic acid
Basic Information
CAS
23876-18-8
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O
InChI
InChI=1S/C9H9NO4/c1-6-3-2-4-8(10(13)14)7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
WFKNETIJXXWRHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.17
TPSA
80.44
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1.9
Consensus LogP
1.59
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
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
Customers Also Viewed
-
-
-
2-[amino-(4-amino-4-carboxy-butyl)imino-methyl]aminobutanedioic acid
- CAS RN: 2387-71-5
- Product Code: starshine_CAS2387-71-5
- Purity/Analytical method: >99.0%
-
AKOS 92897
- CAS RN: 23877-94-3
- Product Code: starshine_CAS23877-94-3
- Purity/Analytical method: >99.0%
-
p-isopropyl-alpha-methylstyrene
- CAS RN: 2388-14-9
- Product Code: starshine_CAS2388-14-9
- Purity/Analytical method: >99.0%
-
N,N-Dimethyl-2-(methylthio)aniline
- CAS RN: 2388-50-3
- Product Code: starshine_CAS2388-50-3
- Purity/Analytical method: >99.0%
![CAS 2387-71-5 2-[amino-(4-amino-4-carboxy-butyl)imino-methyl]aminobutanedioic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2387-71-5.gif)
