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CAS 77450-05-6 (+)-PPM molecular structure lightbox
CAS RN: 77450-05-6

(+)-PPM

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250804 100mg In stock Shanghai Inquiry
Batchno.20250111 1g In stock Shanghai Inquiry
Batchno.20250515 250mg In stock Shanghai Inquiry
Batchno.20250408 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250925 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS77450-05-6
  • Purity/Analytical Methods: >99.0%
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77450-05-6 / [5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane

Standard CAS: 77450-05-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77450-05-6
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
InChIKey
PQHKXSOICTYGQD-UHFFFAOYSA-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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