CAS RN: 2246900-40-1
2-(4-(Cyclopentylthiomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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.20250414 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2246900-40-1
- Purity/Analytical Methods: >99.0%
2246900-40-1 / 2-[4-(cyclopentylsulfanylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
2246900-40-1
Multi CAS
No
Molecular Formula
C18H27BO2S
Molecular Weight
318.300000
Exact Mass
318.182481
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CSC3CCCC3
InChI
InChI=1S/C18H27BO2S/c1-17(2)18(3,4)21-19(20-17)15-11-9-14(10-12-15)13-22-16-7-5-6-8-16/h9-12,16H,5-8,13H2,1-4H3
InChIKey
IBWNPLQWTZMPSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
95.71
TPSA
18.46
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
4.16
Consensus LogP
4
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 2246937-34-6 1,3,2-Dioxaborolane, 2-[4-[(4-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,3,2-Dioxaborolane, 2-[4-[(4-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-
- CAS RN: 2246937-34-6
- Product Code: starshine_CAS2246937-34-6
- Purity/Analytical method: >99.0%
-
-
(2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-ethyl-2,3-dihydrobenzo[d][1,3]oxaphosphole
- CAS RN: 2247162-97-4
- Product Code: SSC-109846
-
(2S,3S)-3-(tert-butyl)-4-(2,6-diphenoxyphenyl)-2-methyl-2,3-dihydrobenzo[d][1,3]oxaphosphole
- CAS RN: 2247163-02-4
- Product Code: starshine_CAS2247163-02-4
- Purity/Analytical method: >99.0%
-
(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%
![CAS 2246937-34-6 1,3,2-Dioxaborolane, 2-[4-[(4-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246937-34-6.gif)
![CAS 2247162-97-4 (2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2-ethyl-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2247162-97-4.gif)
![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 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)