CAS RN: 2357137-42-7
INDEX NAME NOT YET ASSIGNED
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.20260428 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2357137-42-7
- Purity/Analytical Methods: >99.0%
2357137-42-7 / 2-[2,6-dihexoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2357137-42-7
Multi CAS
No
Molecular Formula
C34H54B2O6
Molecular Weight
580.400000
Exact Mass
580.410650
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=C2C=CC(=C3B4OC(C(O4)(C)C)(C)C)OCCCCCC)OCCCCCC
InChI
InChI=1S/C34H54B2O6/c1-11-13-15-17-23-37-27-21-19-26-25(29(27)35-39-31(3,4)32(5,6)40-35)20-22-28(38-24-18-16-14-12-2)30(26)36-41-33(7,8)34(9,10)42-36/h19-22H,11-18,23-24H2,1-10H3
InChIKey
MVSHYZACUCKBLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
174.65
TPSA
55.38
LogP / Solubility
WLOGP
7.36
MLOGP
6.52
XLogP3
7.36
Consensus LogP
7.08
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-9.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.22
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)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
PROTAC Linker 26
- CAS RN: 2358775-67-2
- Product Code: starshine_CAS2358775-67-2
- Purity/Analytical method: >99.0%
-
Vonoprazan Impuirty 84
- CAS RN: 2358783-64-7
- Product Code: starshine_CAS2358783-64-7
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2359649-81-1
- Product Code: starshine_CAS2359649-81-1
- Purity/Analytical method: >99.0%
-
17,19-Metheno-1H,5H-cyclopent[5,6][1,4]oxazino[3,4-i]pyrazolo[4,3-f]pyrido[3,2-l][1,4,8,10]oxatriazacyclotridecin-14(11H)-one, 7-fluoro-2,3,3a,12,13,20a-hexahydro-11-methyl-, (3aS,11R,20aR)-
- CAS RN: 2359650-19-2
- Product Code: starshine_CAS2359650-19-2
- Purity/Analytical method: >99.0%
-
Benzeneethanol, 3-[(1R)-1-aminoethyl]-β,β,2-trifluoro-α,α-dimethyl-
- CAS RN: 2359690-82-5
- Product Code: SSC-114824
-
Pyrimidine, 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methyl-
- CAS RN: 2359690-91-6
- Product Code: SSC-114826
![CAS 2359650-19-2 17,19-Metheno-1H,5H-cyclopent[5,6][1,4]oxazino[3,4-i]pyrazolo[4,3-f]pyrido[3,2-l][1,4,8,10]oxatriazacyclotridecin-14(11H)-one, 7-fluoro-2,3,3a,12,13,20a-hexahydro-11-methyl-, (3aS,11R,20aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2359650-19-2.gif)
![CAS 2359690-82-5 Benzeneethanol, 3-[(1R)-1-aminoethyl]-β,β,2-trifluoro-α,α-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2359690-82-5.gif)
