CAS RN: 742112-33-0
OSU-03012
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260526 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS742112-33-0
- Purity/Analytical Methods: >99.0%
742112-33-0 / 2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
Basic Information
CAS
742112-33-0
Multi CAS
Yes
Molecular Formula
C26F3H19N4O
Molecular Weight
460.400000
Exact Mass
460.151096
InChI
InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)
InChIKey
YULUCECVQOCQFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
25
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
126.7
TPSA
72.94
LogP / Solubility
WLOGP
5.76
MLOGP
5.1
XLogP3
5.2
Consensus LogP
5.35
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
4,8-disulfo-2,6-naphthalenedicarboxylic acid
- CAS RN: 742641-46-9
- Product Code: starshine_CAS742641-46-9
- Purity/Analytical method: >99.0%
-
METHYL ISOINDOLINE-5-CARBOXYLATE
- CAS RN: 742666-57-5
- Product Code: starshine_CAS742666-57-5
- Purity/Analytical method: >99.0%
-
(R)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid
- CAS RN: 742691-70-9
- Product Code: starshine_CAS742691-70-9
- Purity/Analytical method: >99.0%
-
-
(R)-3-Amino-3-(2,3-dichloro-phenyl)-propionic acid
- CAS RN: 743416-09-3
- Product Code: SSC-183785
-
Chidamide
- CAS RN: 743420-02-2
- Product Code: starshine_CAS743420-02-2
- Purity/Analytical method: >99.0%
