![CAS 1884680-48-1 (2R,2’R,3R,3’R)-3,3′-di-tert-butyl-4,4′-bis(2,6-dimethoxyphenyl)-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884680-48-1.gif)
CAS RN: 1884680-48-1
(2R,2’R,3R,3’R)-3,3′-di-tert-butyl-4,4′-bis(2,6-dimethoxyphenyl)-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS1884680-48-1
- Purity/Analytical Methods: >99.0%
1884680-48-1 / (2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphol-2-yl]-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphole
Basic Information
CAS
1884680-48-1
Multi CAS
No
Molecular Formula
C38H44O6P2
Molecular Weight
658.700000
Exact Mass
658.261313
SMILES
CC(C)(C)[P@]1[C@@H](OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)[C@@H]4OC5=CC=CC(=C5[P@]4C(C)(C)C)C6=C(C=CC=C6OC)OC
InChI
InChI=1S/C38H44O6P2/c1-37(2,3)45-33-23(31-25(39-7)17-13-18-26(31)40-8)15-11-21-29(33)43-35(45)36-44-30-22-12-16-24(34(30)46(36)38(4,5)6)32-27(41-9)19-14-20-28(32)42-10/h11-22,35-36H,1-10H3/t35-,36-,45-,46-/m1/s1
InChIKey
OXORIUANWLCHSQ-MNZXOXKBSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
191.41
TPSA
55.38
LogP / Solubility
WLOGP
9
MLOGP
7.98
XLogP3
7.7
Consensus LogP
8.23
Log S (ESOL)
-9.52
Class (ESOL)
Insoluble
Log S (Ali)
-11.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.25
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)
-0.35
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
7.5
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![CAS 1884712-55-3 (R)-6-BROMO-4-METHYL-4,5-DIHYDRO-1H-BENZO[B][1,4]DIAZEPIN-2(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884712-55-3.gif)
