CAS RN: 72401-54-8
6-Methoxydihydrosanguinarine
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250723 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS72401-54-8
- Purity/Analytical Methods: >99.0%
72401-54-8 / 23-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
Basic Information
CAS
72401-54-8
Multi CAS
No
Molecular Formula
C21H17NO5
Molecular Weight
363.400000
Exact Mass
363.110673
InChI
InChI=1S/C21H17NO5/c1-22-19-13(4-3-11-7-16-17(8-14(11)19)26-9-25-16)12-5-6-15-20(27-10-24-15)18(12)21(22)23-2/h3-8,21H,9-10H2,1-2H3
InChIKey
MHPDDMNAUJQRSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
99.78
TPSA
49.39
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
4.1
Consensus LogP
3.92
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
-
7-CHLORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
- CAS RN: 72403-05-5
- Product Code: starshine_CAS72403-05-5
- Purity/Analytical method: >99.0%
-
-
2-Amino-2-(4-bromophenyl)propanoic acid
- CAS RN: 72408-57-2
- Product Code: starshine_CAS72408-57-2
- Purity/Analytical method: >99.0%
-
![CAS 72403-05-5 7-CHLORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72403-05-5.gif)
