CAS RN: 591735-13-6
1H-Carbazole,7-chloro-2,3,4,9-tetrahydro-8-methyl-(9CI)
- Product code: SSC-167572
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: 1g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
591735-13-6 / 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
Basic Information
CAS
591735-13-6
Multi CAS
No
Molecular Formula
C13H14CLN
Molecular Weight
219.710000
Exact Mass
219.081477
InChI
InChI=1S/C13H14ClN/c1-8-11(14)7-6-10-9-4-2-3-5-12(9)15-13(8)10/h6-7,15H,2-5H2,1H3
InChIKey
JSUCWHCAQGCQRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
H-bond donors
1
Molar refractivity
64.69
TPSA
15.79
LogP / Solubility
WLOGP
4.01
MLOGP
3.53
XLogP3
4.3
Consensus LogP
3.95
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.21
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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