CAS RN: 136779-26-5
(-)-1,2-BIS((2S,5S)-2,5-DIMETHYLPHOSPHOLANO)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.20250624 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS136779-26-5
- Purity/Analytical Methods: >99.0%
136779-26-5 / (2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane
Basic Information
CAS
136779-26-5
Multi CAS
No
Molecular Formula
C14H28P2
Molecular Weight
258.320000
Exact Mass
258.166625
SMILES
C[C@H]1CC[C@@H](P1CCP2[C@H](CC[C@@H]2C)C)C
InChI
InChI=1S/C14H28P2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-/m0/s1
InChIKey
IRCDUOCGSIGEAI-XUXIUFHCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
79.89
TPSA
0.0000
LogP / Solubility
WLOGP
5.09
MLOGP
4.49
XLogP3
2.4
Consensus LogP
3.99
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H250 (100%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]
Precautionary Statement Codes
P210, P222, P231, P233, P280, P302+P335+P334, and P370+P378
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