CAS RN: 302803-72-1
HPI-4,Hedgehog Pathway Inhibitor 4
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS302803-72-1
- Purity/Analytical Methods: >99.0%
302803-72-1 / 2-[[2-cyano-3-(2,4-dichlorophenyl)-3-oxoprop-1-enylidene]amino]benzamide
Basic Information
CAS
302803-72-1
Multi CAS
Yes
Molecular Formula
C17H9CL2N3O2
Molecular Weight
358.200000
Exact Mass
357.007182
InChI
InChI=1S/C17H9Cl2N3O2/c18-9-5-6-10(13(19)7-9)15(23)12(8-20)16-21-14-4-2-1-3-11(14)17(24)22-16/h1-7,23H,(H,21,22,24)/b15-12+
InChIKey
UEZZGQDPOFILFH-NTCAYCPXSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
91.97
TPSA
96.31
LogP / Solubility
WLOGP
3.73
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26
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
-
![CAS 302806-16-2 4-[(2-FURYLMETHYL)AMINO]TETRAHYDROTHIOPHENE-3-OL 1,1-DIOXIDE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[(2-FURYLMETHYL)AMINO]TETRAHYDROTHIOPHENE-3-OL 1,1-DIOXIDE
- CAS RN: 302806-16-2
- Product Code: SSC-134223
-
(Z)-3-[4-(DIMETHYLAMINO)BENZYLIDENYL]INDOLIN-2-ONE
- CAS RN: 302818-73-1
- Product Code: SSC-134229
-
Ro 67-4853
- CAS RN: 302841-89-0
- Product Code: starshine_CAS302841-89-0
- Purity/Analytical method: >99.0%
-
5-(2-Methoxyethyl)-1,3,4-oxadiazol-2-amine
- CAS RN: 302842-61-1
- Product Code: starshine_CAS302842-61-1
- Purity/Analytical method: >99.0%
-
-
4-Morpholineaceticacid,2-oxo-(9CI)
- CAS RN: 302900-65-8
- Product Code: starshine_CAS302900-65-8
- Purity/Analytical method: >99.0%
![CAS 302806-16-2 4-[(2-FURYLMETHYL)AMINO]TETRAHYDROTHIOPHENE-3-OL 1,1-DIOXIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2382049(1).gif)
![CAS 302818-73-1 (Z)-3-[4-(DIMETHYLAMINO)BENZYLIDENYL]INDOLIN-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4229166(1).gif)
