CAS RN: 1314246-02-0
(2S,5S)-1-(2-(1,3-Dioxolan-2-yl)phenyl)-2,5-diethylphospholane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260426 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250827 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251004 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251017 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS1314246-02-0
- Purity/Analytical Methods: >99.0%
1314246-02-0 / 2-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-1,3-dioxolane
Basic Information
CAS
1314246-02-0
Multi CAS
No
Molecular Formula
C17H25O2P
Molecular Weight
292.400000
Exact Mass
292.159217
SMILES
CC[C@H]1CC[C@@H](P1C2=CC=CC=C2C3OCCO3)CC
InChI
InChI=1S/C17H25O2P/c1-3-13-9-10-14(4-2)20(13)16-8-6-5-7-15(16)17-18-11-12-19-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKey
UKBFKBMQNUOKTD-KBPBESRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
85.03
TPSA
18.46
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
3.3
Consensus LogP
3.73
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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