CAS RN: 6873-13-8
phellodendrine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS6873-13-8
- Purity/Analytical Methods: >99.0%
6873-13-8 / (13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol
Basic Information
CAS
6873-13-8
Multi CAS
Yes
Molecular Formula
C20H24NO4
Molecular Weight
342.400000
Exact Mass
342.170533
InChI
InChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21?/m0/s1
InChIKey
RBBVPNQTBKHOEQ-BJQOMGFOSA-O
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
94.22
TPSA
58.92
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
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
4
Customers Also Viewed
-
2-benzyl-1-methyl-quinazolin-4-one
- CAS RN: 6873-15-0
- Product Code: starshine_CAS6873-15-0
- Purity/Analytical method: >99.0%
-
4-chloro-N-MethylbenzaMide
- CAS RN: 6873-44-5
- Product Code: starshine_CAS6873-44-5
- Purity/Analytical method: >99.0%
-
-
1-Butanaminium, 4-bromo-N,N,N-trimethyl-, bromide
- CAS RN: 6875-49-6
- Product Code: starshine_CAS6875-49-6
- Purity/Analytical method: >99.0%
-
-
2,4,6-TRIS(4-CYANOPHENYL)-1,3,5-TRIAZINE
- CAS RN: 6876-34-2
- Product Code: starshine_CAS6876-34-2
- Purity/Analytical method: >99.0%
