![CAS 2227217-22-1 (2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227217-22-1.gif)
CAS RN: 2227217-22-1
(2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260116 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2227217-22-1
- Purity/Analytical Methods: >99.0%
2227217-22-1 / (2S,3S)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2H-1,3-benzoxaphosphole
Basic Information
CAS
2227217-22-1
Multi CAS
No
Molecular Formula
C23H31O4P
Molecular Weight
402.500000
Exact Mass
402.195996
SMILES
CC(C)(C)[P@@]1[C@H](OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)C(C)(C)OC
InChI
InChI=1S/C23H31O4P/c1-22(2,3)28-20-15(19-16(24-6)12-10-13-17(19)25-7)11-9-14-18(20)27-21(28)23(4,5)26-8/h9-14,21H,1-8H3/t21-,28-/m0/s1
InChIKey
APINUOMEGRQMFN-KMRXNPHXSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
116.79
TPSA
36.92
LogP / Solubility
WLOGP
5.42
MLOGP
4.79
XLogP3
4.4
Consensus LogP
4.87
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
Fmoc-PEG12-NHS ester
- CAS RN: 2227246-92-4
- Product Code: starshine_CAS2227246-92-4
- Purity/Analytical method: >99.0%
-
8-Chloro-6-iodoimidazo[1,2-a]pyrazine
- CAS RN: 2227272-49-1
- Product Code: starshine_CAS2227272-49-1
- Purity/Analytical method: >99.0%
-
5-Bromo-2-(tetrahydrofuran-3-yl)isoindolin-1-one
- CAS RN: 2227272-50-4
- Product Code: starshine_CAS2227272-50-4
- Purity/Analytical method: >99.0%
-
1-(3-Bromo-5-isopropylphenyl)ethanamine hydrochloride
- CAS RN: 2227272-85-5
- Product Code: starshine_CAS2227272-85-5
- Purity/Analytical method: >99.0%
-
6-Iodo-8-phenylimidazo[1,2-a]pyrazine
- CAS RN: 2227272-86-6
- Product Code: starshine_CAS2227272-86-6
- Purity/Analytical method: >99.0%
-
1-cyclobutyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 2227297-73-4
- Product Code: SSC-107518
![CAS 2227272-49-1 8-Chloro-6-iodoimidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227272-49-1.gif)
![CAS 2227272-86-6 6-Iodo-8-phenylimidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227272-86-6.gif)
