![CAS 35764-54-6 6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35764-54-6.gif)
CAS RN: 35764-54-6
6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE
- Product code: SSC-142831
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
35764-54-6 / 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Basic Information
CAS
35764-54-6
Multi CAS
Yes
Molecular Formula
C12H15CLN2O
Molecular Weight
238.710000
Exact Mass
238.087291
InChI
InChI=1S/C12H14N2O.ClH/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11;/h2-3,6,13-14H,4-5,7H2,1H3;1H
InChIKey
KRMJEIDSHZEQHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.51
TPSA
37.05
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.24
Consensus LogP
2.15
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 35775-46-3 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35775-46-3.gif)
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