![CAS 63856-99-5 N-[[2-Chloro-3-[(phenylamino)methylene]-1-cyclopenten-1-yl]methylene]-benzenamine monohydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63856-99-5.gif)
CAS RN: 63856-99-5
N-[[2-Chloro-3-[(phenylamino)methylene]-1-cyclopenten-1-yl]methylene]-benzenamine monohydrochloride
- Product code: SSC-173641
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 | Hong Kong | Inquiry |
63856-99-5 / N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline;hydrochloride
Basic Information
CAS
63856-99-5
Multi CAS
Yes
Molecular Formula
C19H18CL2N2
Molecular Weight
345.300000
Exact Mass
344.084704
InChI
InChI=1S/C19H17ClN2.ClH/c20-19-15(13-21-17-7-3-1-4-8-17)11-12-16(19)14-22-18-9-5-2-6-10-18;/h1-10,13-14,21H,11-12H2;1H/b15-13+,22-14?;
InChIKey
FARWFRQHGZWONA-SPMXMNFQSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
102.1
TPSA
24.39
LogP / Solubility
WLOGP
6.09
MLOGP
5.38
XLogP3
6.09
Consensus LogP
5.85
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 63862-55-5 17,18-dibromo-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63862-55-5.gif)
