CAS RN: 1334547-75-9
BrettPhos AuCl
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-040229
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1334547-75-9 / chlorogold;dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Basic Information
CAS
1334547-75-9
Multi CAS
No
Molecular Formula
C35H53AuClO2P
Molecular Weight
769.200000
Exact Mass
768.313741
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.Cl[Au]
InChI
InChI=1S/C35H53O2P.Au.ClH/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28;;/h19-25,27-28H,9-18H2,1-8H3;;1H/q;+1;/p-1
InChIKey
CDLGGLLRZVWITN-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.66
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
173.4
TPSA
18.46
LogP / Solubility
WLOGP
11.2
MLOGP
9.92
XLogP3
11.2
Consensus LogP
10.77
Log S (ESOL)
-11.29
Class (ESOL)
Insoluble
Log S (Ali)
-13.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.04
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)
0.54
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
4.5
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