[email protected]
CAS 1160861-59-5 2-(Di-1-adaMantylphosphino)-3,6-diMethoxy-2′,4′,6′-tri-i-propyl-1,1′-biphenyl, Min. 95% AdBrettPhos molecular structure lightbox
CAS RN: 1160861-59-5

2-(Di-1-adaMantylphosphino)-3,6-diMethoxy-2′,4′,6′-tri-i-propyl-1,1′-biphenyl, Min. 95% AdBrettPhos

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250203 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260612 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251130 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250330 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250802 5g Out of stock Inquiry
  • Product code: SSC-016215
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1160861-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1160861-59-5 / bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

AdBrettPhos | 2-(Di-1-adaMantylphosphino)-3,6-diMethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl | MFCD23379935

Standard CAS: 1160861-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160861-59-5
Multi CAS
No
Molecular Formula
C43H61O2P
Molecular Weight
640.900000
Exact Mass
640.440918
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC)OC)C(C)C
InChI
InChI=1S/C43H61O2P/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3
InChIKey
NMGHOZQCYNKWBG-UHFFFAOYSA-N
Synonyms
AdBrettPhos 2-(Di-1-adaMantylphosphino)-3,6-diMethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl MFCD23379935 bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane Phosphine, [3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]bis(tricyclo[3.3.1.13,7]dec-1-yl)-

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.72
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
195.61
TPSA
18.46

LogP / Solubility

WLOGP
11.79
MLOGP
10.42
XLogP3
11.8
Consensus LogP
11.34
Log S (ESOL)
-10.84
Class (ESOL)
Insoluble
Log S (Ali)
-13.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.69
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.74

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
10

Customers Also Viewed

Get In Touch

Contact Us