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: 90%
- 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 | 90% | 0 Out of Stock | Hong Kong | Inquiry |
74289-57-9 / chloro-bis(3,5-dimethylphenyl)phosphane
Basic Information
CAS
74289-57-9
Multi CAS
No
Molecular Formula
C16H18CLP
Molecular Weight
276.740000
Exact Mass
276.083465
InChI
InChI=1S/C16H18ClP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKey
FCEBDAANWYNQMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
83.87
TPSA
0.0000
LogP / Solubility
WLOGP
4.51
MLOGP
3.98
XLogP3
5.3
Consensus LogP
4.6
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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1,2,3,4-TETRAHYDRO-2-(TRIFLUOROACETYL)ISOQUINOLINE-7-SULFONYL CHLORIDE
- CAS RN: 74291-57-9
- Product Code: SSC-183745
