CAS RN: 1292766-21-2
Pierreione B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1292766-21-2
- Purity/Analytical Methods: >99.0%
1292766-21-2 / 7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
Basic Information
CAS
1292766-21-2
Multi CAS
No
Molecular Formula
C26H28O7
Molecular Weight
452.500000
Exact Mass
452.183503
SMILES
CC1(C=CC2=CC3=C(C=C2O1)OC=C(C3=O)C4=CC(=C(C=C4)OC[C@H](C(C)(C)O)O)OC)C
InChI
InChI=1S/C26H28O7/c1-25(2)9-8-16-10-17-21(12-20(16)33-25)31-13-18(24(17)28)15-6-7-19(22(11-15)30-5)32-14-23(27)26(3,4)29/h6-13,23,27,29H,14H2,1-5H3/t23-/m1/s1
InChIKey
RDXLWAJRBPKMPD-HSZRJFAPSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
126.01
TPSA
98.36
LogP / Solubility
WLOGP
4.16
MLOGP
3.69
XLogP3
3.4
Consensus LogP
3.75
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
PF-2545920
- CAS RN: 1292799-56-4
- Product Code: starshine_CAS1292799-56-4
- Purity/Analytical method: >99.0%
-
(1R)-2,2′,3,3′-tetrahydro-6,6′-di-1-naphthalenyl-1,1′-Spirobi[1H-indene]-7,7′-diol
- CAS RN: 1292849-40-1
- Product Code: starshine_CAS1292849-40-1
- Purity/Analytical method: >99.0%
-
-
1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-7-((4aR,7aR)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrobroMide
- CAS RN: 1292904-74-5
- Product Code: starshine_CAS1292904-74-5
- Purity/Analytical method: >99.0%
-
JNJ-42847922
- CAS RN: 1293281-49-8
- Product Code: starshine_CAS1293281-49-8
- Purity/Analytical method: >99.0%
-
4-fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid
- CAS RN: 1293284-50-0
- Product Code: starshine_CAS1293284-50-0
- Purity/Analytical method: >99.0%
![CAS 1292849-40-1 (1R)-2,2′,3,3′-tetrahydro-6,6′-di-1-naphthalenyl-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1292849-40-1.gif)
![CAS 1292904-74-5 1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-7-((4aR,7aR)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrobroMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1292904-74-5.gif)
