![CAS 2247163-02-4 (2S,3S)-3-(tert-butyl)-4-(2,6-diphenoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB94671090.gif)
CAS RN: 2247163-02-4
(2S,3S)-3-(tert-butyl)-4-(2,6-diphenoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS2247163-02-4
- Purity/Analytical Methods: >99.0%
2247163-02-4 / (2S,3S)-3-tert-butyl-4-(2,6-diphenoxyphenyl)-2-methyl-2H-1,3-benzoxaphosphole
Basic Information
CAS
2247163-02-4
Multi CAS
No
Molecular Formula
C30H29O3P
Molecular Weight
468.500000
Exact Mass
468.185432
SMILES
C[C@H]1OC2=CC=CC(=C2[P@@]1C(C)(C)C)C3=C(C=CC=C3OC4=CC=CC=C4)OC5=CC=CC=C5
InChI
InChI=1S/C30H29O3P/c1-21-31-27-20-11-17-24(29(27)34(21)30(2,3)4)28-25(32-22-13-7-5-8-14-22)18-12-19-26(28)33-23-15-9-6-10-16-23/h5-21H,1-4H3/t21-,34+/m0/s1
InChIKey
GHEJWVLWCKKVFR-ZCWHBTPQSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
141.31
TPSA
27.69
LogP / Solubility
WLOGP
8.58
MLOGP
7.58
XLogP3
7.4
Consensus LogP
7.85
Log S (ESOL)
-8.34
Class (ESOL)
Insoluble
Log S (Ali)
-9.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.43
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)
0.52
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
4.5
Customers Also Viewed
-
![CAS 2247163-03-5 (2S,3S)-3-(tert-butyl)-4-(2,6-diisopropoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(2S,3S)-3-(tert-butyl)-4-(2,6-diisopropoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole
- CAS RN: 2247163-03-5
- Product Code: starshine_CAS2247163-03-5
- Purity/Analytical method: >99.0%
-
(2S,3S)-4-(anthracen-9-yl)-3-(tert-butyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
- CAS RN: 2247163-07-9
- Product Code: starshine_CAS2247163-07-9
- Purity/Analytical method: >99.0%
-
Celecoxib Impurity 23
- CAS RN: 2247197-66-4
- Product Code: starshine_CAS2247197-66-4
- Purity/Analytical method: >99.0%
-
Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-phenyl-, (4R,4’R)-
- CAS RN: 2247206-06-8
- Product Code: SSC-109848
-
9H-Carbazole, 2,7-bis(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
- CAS RN: 2247347-75-5
- Product Code: starshine_CAS2247347-75-5
- Purity/Analytical method: >99.0%
-
![CAS 2247163-03-5 (2S,3S)-3-(tert-butyl)-4-(2,6-diisopropoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB14671089.gif)
![CAS 2247163-07-9 (2S,3S)-4-(anthracen-9-yl)-3-(tert-butyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2247163-07-9.gif)
![CAS 2247206-06-8 Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-phenyl-, (4R,4’R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2247206-06-8.gif)
![CAS 2247347-75-5 9H-Carbazole, 2,7-bis(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2247347-75-5.gif)
