CAS RN: 112501-42-5
Aristolactam FI
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250507 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS112501-42-5
- Purity/Analytical Methods: >99.0%
112501-42-5 / 15-hydroxy-14-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Piperolactam A | Aristolactam F1 | 1-Hydroxy-2-methoxydibenz(cd,f)indol-4(5H)-one
Basic Information
CAS
112501-42-5
Multi CAS
No
Molecular Formula
C16H11NO3
Molecular Weight
265.260000
Exact Mass
265.073893
SMILES
COC1=C(C2=C3C(=C1)C(=O)NC3=CC4=CC=CC=C42)O
InChI
InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)
InChIKey
KBGNBPGXVKPRQI-UHFFFAOYSA-N
Synonyms
Piperolactam A
Aristolactam F1
1-Hydroxy-2-methoxydibenz(cd,f)indol-4(5H)-one
Dibenz[cd,f]indol-4(5H)-one, 1-hydroxy-2-methoxy-
CXQ3T84KLC
Physical Properties
Melting Point
303 - 306 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.62
TPSA
58.56
LogP / Solubility
WLOGP
3.27
MLOGP
2.89
XLogP3
3
Consensus LogP
3.05
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
Picrasidine S
- CAS RN: 112503-87-4
- Product Code: starshine_CAS112503-87-4
- Purity/Analytical method: >99.0%
-
5H-Pyrrolo[1,2-a]imidazol-7-ol,6,7-dihydro-(9CI)
- CAS RN: 112513-79-8
- Product Code: SSC-012908
-
7H-Pyrrolo[1,2-a]imidazol-7-one,5,6-dihydro-(9CI)
- CAS RN: 112513-82-3
- Product Code: SSC-012909
-
Neolinine
- CAS RN: 112515-37-4
- Product Code: starshine_CAS112515-37-4
- Purity/Analytical method: >99.0%
-
tubuloside B
- CAS RN: 112516-04-8
- Product Code: starshine_CAS112516-04-8
- Purity/Analytical method: >99.0%
-
Tubuloside A
- CAS RN: 112516-05-9
- Product Code: starshine_CAS112516-05-9
- Purity/Analytical method: >99.0%
![CAS 112513-79-8 5H-Pyrrolo[1,2-a]imidazol-7-ol,6,7-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/112513-79-8.gif)
![CAS 112513-82-3 7H-Pyrrolo[1,2-a]imidazol-7-one,5,6-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/112513-82-3.gif)
