CAS RN: 84832-02-0
Methyl 3-Amino-2,6-Difluorobenzoate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-192493
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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
84832-02-0 / methyl 3-amino-2,6-difluorobenzoate
Basic Information
CAS
84832-02-0
Multi CAS
Yes
Molecular Formula
C8F2H7NO2
Molecular Weight
187.140000
Exact Mass
187.044485
InChI
InChI=1S/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,11H2,1H3
InChIKey
IUXHGFLADBGDTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.11
TPSA
52.32
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.3
Consensus LogP
1.27
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-2.91
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
-
3-Amino-2-(4-chlorophenyl)propane-1-sulfonic acid
- CAS RN: 125464-42-8
- Product Code: SSC-030199
-
Methyl 3-amino-2-(aminomethyl)propanoate dihydrochloride
- CAS RN: 440644-06-4
- Product Code: SSC-152119
-
3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid
- CAS RN: 143438-91-9
- Product Code: SSC-054894
-
Methyl 3-amino-3-(3-methoxyphenyl)propanoate hydrochloride
- CAS RN: 1269634-11-8
- Product Code: LINM901092
-
3-Amino-3-(4-fluoronaphthalen-1-yl)propanoic acid hydrochloride
- CAS RN: 1810070-00-8
- Product Code: LINA901320
-
3-Amino-3-(4-bromo-3-fluorophenyl)propanoic acid hydrochloride
- CAS RN: 2061980-53-6
- Product Code: LINA901706
![CAS 143438-91-9 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/143438-91-9.png)
