![CAS 2376521-83-2 (2R,2’R,3R,3’R)-3,3′-di-tert-butyl-4,4′-bis((R)-2-methyl-1-phenylpropoxy)-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2376521-83-2.gif)
CAS RN: 2376521-83-2
(2R,2’R,3R,3’R)-3,3′-di-tert-butyl-4,4′-bis((R)-2-methyl-1-phenylpropoxy)-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2376521-83-2
- Purity/Analytical Methods: >99.0%
2376521-83-2 / (2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-[(1R)-2-methyl-1-phenylpropoxy]-2H-1,3-benzoxaphosphol-2-yl]-4-[(1R)-2-methyl-1-phenylpropoxy]-2H-1,3-benzoxaphosphole
Basic Information
CAS
2376521-83-2
Multi CAS
No
Molecular Formula
C42H52O4P2
Molecular Weight
682.800000
Exact Mass
682.334084
SMILES
CC(C)[C@H](C1=CC=CC=C1)OC2=CC=CC3=C2[P@]([C@@H](O3)[C@@H]4OC5=C([P@]4C(C)(C)C)C(=CC=C5)O[C@@H](C6=CC=CC=C6)C(C)C)C(C)(C)C
InChI
InChI=1S/C42H52O4P2/c1-27(2)35(29-19-13-11-14-20-29)43-31-23-17-25-33-37(31)47(41(5,6)7)39(45-33)40-46-34-26-18-24-32(38(34)48(40)42(8,9)10)44-36(28(3)4)30-21-15-12-16-22-30/h11-28,35-36,39-40H,1-10H3/t35-,36-,39-,40-,47-,48-/m1/s1
InChIKey
ASZIPGIBSGSPPM-XPZQDXKISA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
24
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
203.63
TPSA
36.92
LogP / Solubility
WLOGP
11.19
MLOGP
9.9
XLogP3
10.2
Consensus LogP
10.43
Log S (ESOL)
-10.9
Class (ESOL)
Insoluble
Log S (Ali)
-13.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.46
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)
1.06
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
8.5
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