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CAS 1237588-12-3 N-[2-(di-1-adamantylphosphino) phenyl]morpholine,98% Mor-DalPhos molecular structure lightbox
CAS RN: 1237588-12-3

N-[2-(di-1-adamantylphosphino) phenyl]morpholine,98% Mor-DalPhos

  • Product code: SSC-027460
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1237588-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 1 In Stock Hong Kong Inquiry

1237588-12-3 / bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane

Standard CAS: 1237588-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1237588-12-3
Multi CAS
No
Molecular Formula
C30H42NOP
Molecular Weight
463.600000
Exact Mass
463.300402
SMILES
C1COCCN1C2=CC=CC=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7
InChI
InChI=1S/C30H42NOP/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30/h1-4,21-26H,5-20H2
InChIKey
CCBRRSUORFMQCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
137.83
TPSA
12.47

LogP / Solubility

WLOGP
6.57
MLOGP
5.81
XLogP3
6.6
Consensus LogP
6.33
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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