CAS RN: 1816294-67-3
SR4370
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250729 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1816294-67-3
- Purity/Analytical Methods: >99.0%
1816294-67-3 / N'-butyl-4-(2,3-difluorophenyl)benzohydrazide
Basic Information
CAS
1816294-67-3
Multi CAS
No
Molecular Formula
C17H18F2N2O
Molecular Weight
304.330000
Exact Mass
304.138720
SMILES
CCCCNNC(=O)C1=CC=C(C=C1)C2=C(C(=CC=C2)F)F
InChI
InChI=1S/C17H18F2N2O/c1-2-3-11-20-21-17(22)13-9-7-12(8-10-13)14-5-4-6-15(18)16(14)19/h4-10,20H,2-3,11H2,1H3,(H,21,22)
InChIKey
OSQKWTZHYXRTBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
82.17
TPSA
41.13
LogP / Solubility
WLOGP
3.67
MLOGP
3.24
XLogP3
4
Consensus LogP
3.64
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
GSK864
- CAS RN: 1816331-66-4
- Product Code: starshine_CAS1816331-66-4
- Purity/Analytical method: >99.0%
-
2-Hydroxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzaldehyde
- CAS RN: 1816937-59-3
- Product Code: SSC-082538
-
2,2′-((4,4”-diformyl-3,3”-dihydroxy-[1,1′:4′,1”-terphenyl]-2′,5′-diyl)bis(oxy))diacetic acid
- CAS RN: 1816937-61-7
- Product Code: starshine_CAS1816937-61-7
- Purity/Analytical method: >99.0%
-
-
[1,1′:3′,1”:4”,1”’:3”’,1””-Quinquephenyl]-4,4””-dicarboxylic acid, 5′,5”’-bis(4-carboxyphenyl)-
- CAS RN: 1816997-25-7
- Product Code: starshine_CAS1816997-25-7
- Purity/Analytical method: >99.0%
-
5′,5””-(naphthalene-1,4-diyl)bis(([1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid))
- CAS RN: 1816997-26-8
- Product Code: starshine_CAS1816997-26-8
- Purity/Analytical method: >99.0%
![CAS 1816937-59-3 2-Hydroxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1816937-59-3.gif)
![CAS 1816937-61-7 2,2′-((4,4”-diformyl-3,3”-dihydroxy-[1,1′:4′,1”-terphenyl]-2′,5′-diyl)bis(oxy))diacetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1816937-61-7.gif)
![CAS 1816997-25-7 [1,1′:3′,1”:4”,1”’:3”’,1””-Quinquephenyl]-4,4””-dicarboxylic acid, 5′,5”’-bis(4-carboxyphenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1816997-25-7.gif)
![CAS 1816997-26-8 5′,5””-(naphthalene-1,4-diyl)bis(([1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid)) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1816997-26-8.gif)