CAS RN: 507484-48-2
2-(6-chloro-2,3-Dihydro-3-oxo-1H-inden-ylidene)-propanedinitrile
- Product code: SSC-157495
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 |
507484-48-2 / 2-(6-chloro-3-oxoinden-1-ylidene)propanedinitrile
Basic Information
CAS
507484-48-2
Multi CAS
Yes
Molecular Formula
C12H5CLN2O
Molecular Weight
228.630000
Exact Mass
228.009041
InChI
InChI=1S/C12H5ClN2O/c13-8-1-2-9-11(3-8)10(4-12(9)16)7(5-14)6-15/h1-3H,4H2
InChIKey
BIYWIENGKVIVQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.08
H-bond acceptors
3
Molar refractivity
58.55
TPSA
64.65
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
1.7
Consensus LogP
2.28
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-(6-fluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile
- CAS RN: 507484-54-0
- Product Code: SSC-157496
-
2-(6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile
- CAS RN: 507484-59-5
- Product Code: starshine_CAS507484-59-5
- Purity/Analytical method: >99.0%
-
Cdk2/9 Inhibitor
- CAS RN: 507487-89-0
- Product Code: starshine_CAS507487-89-0
- Purity/Analytical method: >99.0%
-
Benzenemethanamine, 4-fluoro-3-methoxy- (9CI)
- CAS RN: 508177-67-1
- Product Code: SSC-157556
-
Ganoderic acid LM2
- CAS RN: 508182-41-0
- Product Code: starshine_CAS508182-41-0
- Purity/Analytical method: >99.0%
-
1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
- CAS RN: 508186-14-9
- Product Code: SSC-157557
