CAS RN: 99135-95-2
(+)-(3R,4R)-BIS(DIPHENYLPHOSPHINO)-1-BENZYLPYRROLIDINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250618 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99135-95-2
- Purity/Analytical Methods: >99.0%
99135-95-2 / (1-benzyl-4-diphenylphosphanylpyrrolidin-3-yl)-diphenylphosphane
Basic Information
CAS
99135-95-2
Multi CAS
Yes
Molecular Formula
C35H33NP2
Molecular Weight
529.600000
Exact Mass
529.208824
InChI
InChI=1S/C35H33NP2/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35H,26-28H2/t34-,35-/m1/s1
InChIKey
GYKMEKRMASHMIH-VSJLXWSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
30
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
167.44
TPSA
3.24
LogP / Solubility
WLOGP
6.51
MLOGP
5.76
XLogP3
7.3
Consensus LogP
6.52
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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