CAS RN: 548-08-3
roemerine
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.20250909 | 2mg | Out of stock | Inquiry |
- Product code: starshine_CAS548-08-3
- Purity/Analytical Methods: >99.0%
548-08-3 / (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Basic Information
CAS
548-08-3
Multi CAS
Yes
Molecular Formula
C18H17NO2
Molecular Weight
279.300000
Exact Mass
279.125929
InChI
InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1
InChIKey
JCTYWRARKVGOBK-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
80.78
TPSA
21.7
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.3
Consensus LogP
3.09
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
Customers Also Viewed
-
ISOGINKGETIN
- CAS RN: 548-19-6
- Product Code: starshine_CAS548-19-6
- Purity/Analytical method: >99.0%
-
-
(+)-ISOLARICIRESINOL
- CAS RN: 548-29-8
- Product Code: starshine_CAS548-29-8
- Purity/Analytical method: >99.0%
-
13-Methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine-14(13H)-one
- CAS RN: 548-30-1
- Product Code: starshine_CAS548-30-1
- Purity/Analytical method: >99.0%
-
VERBENALIN
- CAS RN: 548-37-8
- Product Code: starshine_CAS548-37-8
- Purity/Analytical method: >99.0%
-
PERINAPHTHENONE
- CAS RN: 548-39-0
- Product Code: starshine_CAS548-39-0
- Purity/Analytical method: >99.0%
![CAS 548-30-1 13-Methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine-14(13H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/548-30-1.gif)
