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CAS 61478-28-2 (2S,4S)-(-)-N-BOC-4-Diphenylphosphino-2-diphenylphosphinomethyl-pyrrolidine molecular structure lightbox
CAS RN: 61478-28-2

(2S,4S)-(-)-N-BOC-4-Diphenylphosphino-2-diphenylphosphinomethyl-pyrrolidine

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6 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250415 250mg In stock Inquiry
Batchno.20250920 50mg In stock Inquiry
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Batchno.20251020 250mg / 1g Out of stock 8-10 business days Inquiry
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Batchno.20250425 100mg In stock Shanghai Inquiry
Batchno.20251115 1g Out of stock Inquiry
Batchno.20260529 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS61478-28-2
  • Purity/Analytical Methods: >99.0%
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61478-28-2 / tert-butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate

Standard CAS: 61478-28-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61478-28-2
Multi CAS
Yes
Molecular Formula
C34H37NO2P2
Molecular Weight
553.600000
Exact Mass
553.229953
InChI
InChI=1S/C34H37NO2P2/c1-34(2,3)37-33(36)35-25-32(39(30-20-12-6-13-21-30)31-22-14-7-15-23-31)24-27(35)26-38(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h4-23,27,32H,24-26H2,1-3H3/t27-,32-/m0/s1
InChIKey
BFMKBYZEJOQYIM-UCGGBYDDSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
168.14
TPSA
29.54

LogP / Solubility

WLOGP
6.63
MLOGP
5.88
XLogP3
7
Consensus LogP
6.5
Log S (ESOL)
-7.44
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
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)
-1.39

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

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