![CAS 1373349-83-7 (11aS)-1,2,10,11-Tetramethyl-4,8-bis(t-butyl)-6-[[(2S,5S)-(2,5-diphenyl-1-phospholanyl) methoxy]-dibenzo[d,f][1,3,2]dioxaphosphepin] SaxS,S-BOBPHOS molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373349-83-7.gif)
CAS RN: 1373349-83-7
(11aS)-1,2,10,11-Tetramethyl-4,8-bis(t-butyl)-6-[[(2S,5S)-(2,5-diphenyl-1-phospholanyl) methoxy]-dibenzo[d,f][1,3,2]dioxaphosphepin] SaxS,S-BOBPHOS
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260308 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS1373349-83-7
- Purity/Analytical Methods: >99.0%
1373349-83-7 / 4,8-ditert-butyl-6-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methoxy]-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
Basic Information
CAS
1373349-83-7
Multi CAS
No
Molecular Formula
C41H50O3P2
Molecular Weight
652.800000
Exact Mass
652.323519
SMILES
CC1=CC(=C2C(=C1C)C3=C(C(=CC(=C3OP(O2)OCP4[C@@H](CC[C@H]4C5=CC=CC=C5)C6=CC=CC=C6)C(C)(C)C)C)C)C(C)(C)C
InChI
InChI=1S/C41H50O3P2/c1-26-23-32(40(5,6)7)38-36(28(26)3)37-29(4)27(2)24-33(41(8,9)10)39(37)44-46(43-38)42-25-45-34(30-17-13-11-14-18-30)21-22-35(45)31-19-15-12-16-20-31/h11-20,23-24,34-35H,21-22,25H2,1-10H3/t34-,35-/m0/s1
InChIKey
VHDUDCHTDZHIKW-PXLJZGITSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
27
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
198.64
TPSA
35.51
LogP / Solubility
WLOGP
13.26
MLOGP
11.73
XLogP3
11.6
Consensus LogP
12.2
Log S (ESOL)
-12.35
Class (ESOL)
Insoluble
Log S (Ali)
-14.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.51
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)
2.71
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
6.5
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