CAS RN: 136705-62-9
(+)-1,2-Bis((2R,5R)-2,5-diethylphospholano)ethane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260407 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LINB919904
136705-62-9 / (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]ethyl]-2,5-diethylphospholane
Basic Information
CAS
136705-62-9
Multi CAS
No
Molecular Formula
C18H36P2
Molecular Weight
314.400000
Exact Mass
314.229225
SMILES
CC[C@@H]1CC[C@H](P1CCP2[C@@H](CC[C@H]2CC)CC)CC
InChI
InChI=1S/C18H36P2/c1-5-15-9-10-16(6-2)19(15)13-14-20-17(7-3)11-12-18(20)8-4/h15-18H,5-14H2,1-4H3/t15-,16-,17-,18-/m1/s1
InChIKey
QOLRLVPABLMMKI-BRSBDYLESA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
7
Molar refractivity
98.36
TPSA
0.0000
LogP / Solubility
WLOGP
6.65
MLOGP
5.87
XLogP3
4.5
Consensus LogP
5.67
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.09
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
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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