![CAS 24906-75-0 2-[(DIFLUOROMETHYL)SULFONYL]ANILINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24906-75-0.gif)
CAS RN: 24906-75-0
2-[(DIFLUOROMETHYL)SULFONYL]ANILINE HYDROCHLORIDE
- Product code: SSC-120182
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: 0.1g, 0.25g, 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.
24906-75-0 / 2-(difluoromethylsulfonyl)aniline
Basic Information
CAS
24906-75-0
Multi CAS
No
Molecular Formula
C7H7F2NO2S
Molecular Weight
207.200000
Exact Mass
207.016556
SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)C(F)F
InChI
InChI=1S/C7H7F2NO2S/c8-7(9)13(11,12)6-4-2-1-3-5(6)10/h1-4,7H,10H2
InChIKey
SNDCVGFGRZLIDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.04
TPSA
60.16
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
1.8
Consensus LogP
1.39
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(1’R,3R,7’aβ)-1’β,7’α-Dihydroxy-3’aβ,4’β-dimethyl-4-methylenespiro[oxolane-3,2′-hydrindane]-2-one
- CAS RN: 24909-95-3
- Product Code: starshine_CAS24909-95-3
- Purity/Analytical method: >99.0%
-
Ethanol, 2,2′-(pentadecylimino)bis-
- CAS RN: 24910-32-5
- Product Code: starshine_CAS24910-32-5
- Purity/Analytical method: >99.0%
-
-
-
SPIRAMYCIN I
- CAS RN: 24916-50-5
- Product Code: starshine_CAS24916-50-5
- Purity/Analytical method: >99.0%
![CAS 24909-95-3 (1’R,3R,7’aβ)-1’β,7’α-Dihydroxy-3’aβ,4’β-dimethyl-4-methylenespiro[oxolane-3,2′-hydrindane]-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24909-95-3.gif)
