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: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
716361-59-0 / 3-fluoro-4-(methanesulfonamido)benzoic acid
Basic Information
CAS
716361-59-0
Multi CAS
Yes
Molecular Formula
C8FH8NO4S
Molecular Weight
233.220000
Exact Mass
233.015807
InChI
InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(8(11)12)4-6(7)9/h2-4,10H,1H3,(H,11,12)
InChIKey
BYIDDQNOFZGHAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.83
TPSA
83.47
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
1.3
Consensus LogP
1
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.51
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 716361-79-4 “1-[(4-Methoxyphenyl)Methyl]-1H-1,2,3-triazole-4-carboxylic acid” molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
“1-[(4-Methoxyphenyl)Methyl]-1H-1,2,3-triazole-4-carboxylic acid”
- CAS RN: 716361-79-4
- Product Code: starshine_CAS716361-79-4
- Purity/Analytical method: >99.0%
-
1H-1,2,3-Triazole-4-carboxylicacid,5-ethyl-1-phenyl-(9CI)
- CAS RN: 716361-89-6
- Product Code: SSC-181206
-
1-Methyl-1H-1,2,3-triazole-5-carboxylic acid
- CAS RN: 716361-91-0
- Product Code: SSC-181207
-
[1,2,4]triazolo[1,5-a]pyrimidin-2-ylacetic acid
- CAS RN: 716362-08-2
- Product Code: starshine_CAS716362-08-2
- Purity/Analytical method: >99.0%
-
-
4-Trifluoromethyl-1H-pyrazole-3-carboxylic acid
- CAS RN: 716362-12-8
- Product Code: SSC-181209
![CAS 716361-79-4 “1-[(4-Methoxyphenyl)Methyl]-1H-1,2,3-triazole-4-carboxylic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/716361-79-4.gif)
![CAS 716362-08-2 [1,2,4]triazolo[1,5-a]pyrimidin-2-ylacetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/716362-08-2.gif)
