CAS RN: 2304635-11-6
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(7-methyl-1-naphthalenyl)-
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.20250423 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2304635-11-6
- Purity/Analytical Methods: >99.0%
2304635-11-6 / 4,4,5,5-tetramethyl-2-(7-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
Basic Information
CAS
2304635-11-6
Multi CAS
No
Molecular Formula
C17H21BO2
Molecular Weight
268.200000
Exact Mass
268.163460
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(C=CC3=CC=C2)C
InChI
InChI=1S/C17H21BO2/c1-12-9-10-13-7-6-8-15(14(13)11-12)18-19-16(2,3)17(4,5)20-18/h6-11H,1-5H3
InChIKey
KTPXEJRTRUKHBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
84.4
TPSA
18.46
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.45
Consensus LogP
3.31
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2304635-13-8 Imidodicarbonic acid, 2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-, 1,3-bis(phenylmethyl) ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Imidodicarbonic acid, 2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-, 1,3-bis(phenylmethyl) ester
- CAS RN: 2304635-13-8
- Product Code: starshine_CAS2304635-13-8
- Purity/Analytical method: >99.0%
-
4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 2304635-17-2
- Product Code: SSC-111929
-
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-one
- CAS RN: 2304635-22-9
- Product Code: SSC-111933
-
1,3,2-Dioxaborolane, 2-[3-(difluoromethyl)-5-methoxyphenyl]-4,4,5,5-tetramethyl-
- CAS RN: 2304635-41-2
- Product Code: starshine_CAS2304635-41-2
- Purity/Analytical method: >99.0%
-
1-(p-Methoxyphenylsulfonyl)-7-azaindole-3-boronic Acid Pinacol Ester
- CAS RN: 2304635-47-8
- Product Code: SSC-111938
-
1-Azetidinecarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
- CAS RN: 2304635-53-6
- Product Code: SSC-111940
![CAS 2304635-13-8 Imidodicarbonic acid, 2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-, 1,3-bis(phenylmethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304635-13-8.gif)
![CAS 2304635-17-2 4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB73358507.gif)
![CAS 2304635-41-2 1,3,2-Dioxaborolane, 2-[3-(difluoromethyl)-5-methoxyphenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304635-41-2.gif)
