CAS RN: 122955-42-4
10,10-BIS(4-PYRIDINYLMETHYL)-9(10H)-ANTHRACENONE DIHYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251220 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS122955-42-4
- Purity/Analytical Methods: >99.0%
122955-42-4 / 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
Basic Information
CAS
122955-42-4
Multi CAS
No
Molecular Formula
C26H20N2O
Molecular Weight
376.400000
Exact Mass
376.157563
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5
InChI
InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
InChIKey
KHJFBUUFMUBONL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
112.98
TPSA
42.85
LogP / Solubility
WLOGP
4.79
MLOGP
4.24
XLogP3
4.9
Consensus LogP
4.64
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
galloylpaeoniflorin
- CAS RN: 122965-41-7
- Product Code: starshine_CAS122965-41-7
- Purity/Analytical method: >99.0%
-
(S)-2-(ACETYLTHIO)-4-METHYLPENTANOIC ACID
- CAS RN: 122999-39-7
- Product Code: starshine_CAS122999-39-7
- Purity/Analytical method: >99.0%
-
(2R)-4-Bromo-2-[[(tert-butoxy)carbonyl]amino]butanoic acid tert-butyl ester
- CAS RN: 123004-74-0
- Product Code: SSC-026710
-
Ethanone, 1-[2-(1-methylethyl)-4-pyridinyl]- (9CI)
- CAS RN: 123005-19-6
- Product Code: SSC-026711
-
7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- CAS RN: 123018-23-5
- Product Code: starshine_CAS123018-23-5
- Purity/Analytical method: >99.0%
![CAS 123004-74-0 (2R)-4-Bromo-2-[[(tert-butoxy)carbonyl]amino]butanoic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123004-74-0.gif)
![CAS 123005-19-6 Ethanone, 1-[2-(1-methylethyl)-4-pyridinyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123005-19-6.gif)
![CAS 123018-23-5 7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123018-23-5.gif)