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CAS 1359986-21-2 2-Di-t-butylphosphino-4-Methoxy-3,5,6-triMethyl-2′,4′,6′-tri-i-propylbiphenyl, Min. 98% [~1:1 Mixture with regioisoMer, 2-Di-t-butylphosphino-5-Methoxy-3,4,6-triMethyl-2′,4′,6′-tri-i-propylbiphenyl] molecular structure lightbox
CAS RN: 1359986-21-2

2-Di-t-butylphosphino-4-Methoxy-3,5,6-triMethyl-2′,4′,6′-tri-i-propylbiphenyl, Min. 98% [~1:1 Mixture with regioisoMer, 2-Di-t-butylphosphino-5-Methoxy-3,4,6-triMethyl-2′,4′,6′-tri-i-propylbiphenyl]

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 1g In stock Shanghai Inquiry
Batchno.20260102 250mg In stock Shanghai Inquiry
Batchno.20250819 5g In stock Shanghai Inquiry
  • Product code: SSC-044604
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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
  • Available purity: >98%
  • Inventory rows with stock: 3
  • 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 1359986-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Hong Kong Inquiry
0.25g >98% 1 In Stock Shenzhen Inquiry
1g >98% 1 In Stock Beijing Inquiry
5g >98% 0 Out of Stock Hong Kong Inquiry

1359986-21-2 / ditert-butyl-[3-methoxy-2,4,5-trimethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

Standard CAS: 1359986-21-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1359986-21-2
Multi CAS
No
Molecular Formula
C33H53OP
Molecular Weight
496.700000
Exact Mass
496.383403
SMILES
CC1=C(C(=C(C(=C1C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)OC)C
InChI
InChI=1S/C33H53OP/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)28-22(7)23(8)30(34-16)24(9)31(28)35(32(10,11)12)33(13,14)15/h17-21H,1-16H3
InChIKey
UKYBHPJGOJGYAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.64
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
160.97
TPSA
9.23

LogP / Solubility

WLOGP
10.36
MLOGP
9.15
XLogP3
9.5
Consensus LogP
9.67
Log S (ESOL)
-9.31
Class (ESOL)
Insoluble
Log S (Ali)
-11.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.61

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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