CAS RN: 1207862-37-0
Quassidine B
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.20250219 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1207862-37-0
- Purity/Analytical Methods: >99.0%
1207862-37-0 / 3-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)propan-1-ol
quassidine B | 3-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)propan-1-ol | 3-(4,8-dimethoxy-9H-pyrido(3,4-b)indol-1-yl)-1-(9H-pyrido(3,4-b)indol-1-yl)propan-1-ol
Basic Information
CAS
1207862-37-0
Multi CAS
No
Molecular Formula
C27H24N4O3
Molecular Weight
452.500000
Exact Mass
452.184841
SMILES
COC1=CC=CC2=C1NC3=C2C(=CN=C3CCC(C4=NC=CC5=C4NC6=CC=CC=C56)O)OC
InChI
InChI=1S/C27H24N4O3/c1-33-21-9-5-7-17-23-22(34-2)14-29-19(26(23)31-24(17)21)10-11-20(32)27-25-16(12-13-28-27)15-6-3-4-8-18(15)30-25/h3-9,12-14,20,30-32H,10-11H2,1-2H3
InChIKey
WVRVQNNTQSYWRT-UHFFFAOYSA-N
Synonyms
quassidine B
3-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)propan-1-ol
3-(4,8-dimethoxy-9H-pyrido(3,4-b)indol-1-yl)-1-(9H-pyrido(3,4-b)indol-1-yl)propan-1-ol
RefChem:178044
orb2279318
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
26
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
133.58
TPSA
96.05
LogP / Solubility
WLOGP
5.43
MLOGP
4.81
XLogP3
4.2
Consensus LogP
4.81
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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