![CAS 2214207-74-4 (2R,2’R,3R,3’R)-3,3′-di-tert-butyl-2,2′-dimethyl-2,2′,3,3′-tetrahydro-4,4′-bibenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2214207-74-4.gif)
CAS RN: 2214207-74-4
(2R,2’R,3R,3’R)-3,3′-di-tert-butyl-2,2′-dimethyl-2,2′,3,3′-tetrahydro-4,4′-bibenzo[d][1,3]oxaphosphole
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-106541
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
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
2214207-74-4 / (2R,3R)-3-tert-butyl-4-[(2R,3R)-3-tert-butyl-2-methyl-2H-1,3-benzoxaphosphol-4-yl]-2-methyl-2H-1,3-benzoxaphosphole
Basic Information
CAS
2214207-74-4
Multi CAS
No
Molecular Formula
C24H32O2P2
Molecular Weight
414.500000
Exact Mass
414.187754
SMILES
C[C@@H]1OC2=CC=CC(=C2[P@]1C(C)(C)C)C3=C4C(=CC=C3)O[C@H]([P@@]4C(C)(C)C)C
InChI
InChI=1S/C24H32O2P2/c1-15-25-19-13-9-11-17(21(19)27(15)23(3,4)5)18-12-10-14-20-22(18)28(16(2)26-20)24(6,7)8/h9-16H,1-8H3/t15-,16-,27+,28+/m1/s1
InChIKey
GDRJABGDYUOXJB-FYKBGJEGSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
124.67
TPSA
18.46
LogP / Solubility
WLOGP
6.64
MLOGP
5.87
XLogP3
5.2
Consensus LogP
5.9
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
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)
-0.53
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
5
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