CAS RN: 250683-76-2
3-Fluoro-4-(4-methyl-1-piperazinyl)benzoic 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.20250507 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-120583
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, 0.1g, 0.25g, 25g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 4 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
250683-76-2 / 3-fluoro-4-(4-methylpiperazin-1-yl)benzoic acid
Basic Information
CAS
250683-76-2
Multi CAS
No
Molecular Formula
C12H15FN2O2
Molecular Weight
238.260000
Exact Mass
238.111756
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C12H15FN2O2/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKey
JYHQNVGKXHJWKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.07
TPSA
43.78
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
-0.8
Consensus LogP
0.54
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.27
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
-
![CAS 250685-44-0 8-(1-NAPHTHALENYLMETHYL)-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECANE-3-ACETIC ACID, METHYL ESTER molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
8-(1-NAPHTHALENYLMETHYL)-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECANE-3-ACETIC ACID, METHYL ESTER
- CAS RN: 250685-44-0
- Product Code: starshine_CAS250685-44-0
- Purity/Analytical method: >99.0%
-
salvisyrianone
- CAS RN: 250691-57-7
- Product Code: starshine_CAS250691-57-7
- Purity/Analytical method: >99.0%
-
3-(tetradecylcarbamoylamino)-4-trimethylammonio-butanoate
- CAS RN: 250694-07-6
- Product Code: SSC-120587
-
(9H-Fluoren-9-yl)MethOxy]Carbonyl Pro-Gly-OH
- CAS RN: 250695-65-9
- Product Code: SSC-120588
-
-
N-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE
- CAS RN: 250714-63-7
- Product Code: starshine_CAS250714-63-7
- Purity/Analytical method: >99.0%
![CAS 250685-44-0 8-(1-NAPHTHALENYLMETHYL)-4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECANE-3-ACETIC ACID, METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/250685-44-0.gif)
![CAS 250695-65-9 (9H-Fluoren-9-yl)MethOxy]Carbonyl Pro-Gly-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/250695-65-9.gif)
![CAS 250714-63-7 N-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/250714-63-7.gif)