CAS RN: 1071676-04-4
6-Methoxyldihydrochelerythrine chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1071676-04-4
- Purity/Analytical Methods: >99.0%
1071676-04-4 / 1,2,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine;hydrochloride
Angoline hydrochloride | 6-Methoxyldihydrochelerythrine chloride | Angoline (hydrochloride)
Basic Information
CAS
1071676-04-4
Multi CAS
No
Molecular Formula
C22H22ClNO5
Molecular Weight
415.900000
Exact Mass
415.118651
SMILES
CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC.Cl
InChI
InChI=1S/C22H21NO5.ClH/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4;/h5-10,22H,11H2,1-4H3;1H
InChIKey
IHTYZEWKBYYBBI-UHFFFAOYSA-N
Synonyms
Angoline hydrochloride
6-Methoxyldihydrochelerythrine chloride
Angoline (hydrochloride)
Angoline HCl
1,2,13-Trimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
114.01
TPSA
49.39
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.77
Consensus LogP
4.59
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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