CAS RN: 4770-43-8
7-METHOXY-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE
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.20251212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4770-43-8
- Purity/Analytical Methods: >99.0%
4770-43-8 / 7-methoxy-2,3-dihydro-1H-indole;hydrochloride
Basic Information
CAS
4770-43-8
Multi CAS
Yes
Molecular Formula
C9H12CLNO
Molecular Weight
185.650000
Exact Mass
185.060742
InChI
InChI=1S/C9H11NO.ClH/c1-11-8-4-2-3-7-5-6-10-9(7)8;/h2-4,10H,5-6H2,1H3;1H
InChIKey
NJPHRLXSISYODV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.44
TPSA
21.26
LogP / Solubility
WLOGP
2.09
MLOGP
1.83
XLogP3
2.09
Consensus LogP
2
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
