CAS RN: 112503-87-4
Picrasidine S
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.20250517 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS112503-87-4
- Purity/Analytical Methods: >99.0%
112503-87-4 / 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium
Picrasidine S | 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium | 1H-Indolo[2,3-a]quinolizin-5-ium, 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-2,3,4,12-tetrahydro-7,11-dimethoxy-, (+/-)-; 9H-Pyrido[3,4-b]indole, 1H-indolo[2,3-a]quinolizin-5-ium deriv.
Basic Information
CAS
112503-87-4
Multi CAS
No
Molecular Formula
C30H29N4O4+
Molecular Weight
509.600000
Exact Mass
509.218880
SMILES
COC1=CC=CC2=C1NC3=C2C(=CN=C3C4CCCC5=[N+]4C=C(C6=C5NC7=C6C=CC=C7OC)OC)OC
InChI
InChI=1S/C30H28N4O4/c1-35-20-12-6-9-17-25-23(38-4)15-34-18(28(25)32-26(17)20)10-7-11-19(34)29-30-24(22(37-3)14-31-29)16-8-5-13-21(36-2)27(16)33-30/h5-6,8-9,12-15,19H,7,10-11H2,1-4H3,(H,31,33)/p+1
InChIKey
ZHIAAGUQJJWYBK-UHFFFAOYSA-O
Synonyms
Picrasidine S
4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium
1H-Indolo[2,3-a]quinolizin-5-ium, 4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-2,3,4,12-tetrahydro-7,11-dimethoxy-, (+/-)-; 9H-Pyrido[3,4-b]indole, 1H-indolo[2,3-a]quinolizin-5-ium deriv.
orb1680730
C30H29N4O4+
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
146.88
TPSA
85.27
LogP / Solubility
WLOGP
5.6
MLOGP
4.96
XLogP3
5.2
Consensus LogP
5.25
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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