CAS RN: 847988-09-4
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS847988-09-4
- Purity/Analytical Methods: >99.0%
847988-09-4 / N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
Basic Information
CAS
847988-09-4
Multi CAS
No
Molecular Formula
C19H20BRCLN2
Molecular Weight
391.700000
Exact Mass
390.049840
InChI
InChI=1S/C19H19BrN2.ClH/c20-14-9-10-17-16(11-14)15-7-4-8-18(19(15)22-17)21-12-13-5-2-1-3-6-13;/h1-3,5-6,9-11,18,21-22H,4,7-8,12H2;1H
InChIKey
HMPOLGZKUAQEJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
102.21
TPSA
27.82
LogP / Solubility
WLOGP
5.52
MLOGP
4.88
XLogP3
5.52
Consensus LogP
5.31
Log S (ESOL)
-6.03
Class (ESOL)
Insoluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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