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CAS 61478-29-3 (2S,4S)-4-Diphenylphosphino 2-diphenylphosphinomethyl pyrrolidine molecular structure lightbox
CAS RN: 61478-29-3

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

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 100mg In stock Shanghai Inquiry
Batchno.20250801 100mg Out of stock 8-10 business days Inquiry
Batchno.20260407 1g In stock Shanghai Inquiry
Batchno.20260405 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS61478-29-3
  • Purity/Analytical Methods: >99.0%
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61478-29-3 / [5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane

Standard CAS: 61478-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61478-29-3
Multi CAS
Yes
Molecular Formula
C29H29NP2
Molecular Weight
453.500000
Exact Mass
453.177524
InChI
InChI=1S/C29H29NP2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-29(22-30-24)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29-30H,21-23H2/t24-,29-/m0/s1
InChIKey
PQHKXSOICTYGQD-OUTSHDOLSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
143.21
TPSA
12.03

LogP / Solubility

WLOGP
4.98
MLOGP
4.42
XLogP3
5.7
Consensus LogP
5.03
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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