CAS RN: 2196203-96-8
TH34
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 5mg / 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2196203-96-8
- Purity/Analytical Methods: >99.0%
2196203-96-8 / 3-(benzylamino)-N-hydroxy-4-methylbenzamide
Basic Information
CAS
2196203-96-8
Multi CAS
No
Molecular Formula
C15H16N2O2
Molecular Weight
256.300000
Exact Mass
256.121178
SMILES
CC1=C(C=C(C=C1)C(=O)NO)NCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)
InChIKey
PZBARTUEWCQNSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
74.2
TPSA
61.36
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-Hydrazinyl-2-methoxypyridine hydrochloride
- CAS RN: 2197052-92-7
- Product Code: SSC-105661
-
(1S)-5,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE HYDROCHLORIDE
- CAS RN: 2197054-96-7
- Product Code: starshine_CAS2197054-96-7
- Purity/Analytical method: >99.0%
-
Spiro[3H-indole-3,4′-piperidine]-1′-carboxylic acid, 4-fluoro-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester
- CAS RN: 2197055-58-4
- Product Code: SSC-105663
-
(2S)-4-(4,4-difluoropiperidin-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
- CAS RN: 2197159-36-5
- Product Code: SSC-105671
-
(S)-2-N-Fmoc-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- CAS RN: 2197160-12-4
- Product Code: SSC-105672
![CAS 2197055-58-4 Spiro[3H-indole-3,4′-piperidine]-1′-carboxylic acid, 4-fluoro-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2197055-58-4.png)
