![CAS 701232-69-1 2-[(1r,4r)-4-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/701232-69-1.gif)
CAS RN: 701232-69-1
2-[(1r,4r)-4-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
- Product code: SSC-179927
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
701232-69-1 / methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
Basic Information
CAS
701232-69-1
Multi CAS
Yes
Molecular Formula
BC21H31O4
Molecular Weight
358.300000
Exact Mass
358.231540
InChI
InChI=1S/C21H31BO4/c1-20(2)21(3,4)26-22(25-20)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-19(23)24-5/h10-13,15-16H,6-9,14H2,1-5H3
InChIKey
LWEYCLIGHQDHIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
103.49
TPSA
44.76
LogP / Solubility
WLOGP
3.82
MLOGP
3.38
XLogP3
3.82
Consensus LogP
3.67
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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
Yes
Log Kp (skin permeation)
-2.19
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 701253-01-2 3-[(ISOPROPYLAMINO)SULFONYL]-4-METHOXYBENZOIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-[(ISOPROPYLAMINO)SULFONYL]-4-METHOXYBENZOIC ACID
- CAS RN: 701253-01-2
- Product Code: SSC-179933
-
Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)
- CAS RN: 701264-00-8
- Product Code: SSC-179938
-
6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
- CAS RN: 701291-30-7
- Product Code: SSC-179944
-
3-BROMO-6,7,8,9-TETRAHYDRO-5H-IMIDAZO[1,2-A]AZEPINE
- CAS RN: 701298-97-7
- Product Code: SSC-179945
-
-
2-(2-(2-Methyl-1H-iMidazol-5-yl)ethyl)isoindoline-1,3-dione
- CAS RN: 701899-63-0
- Product Code: starshine_CAS701899-63-0
- Purity/Analytical method: >99.0%
![CAS 701253-01-2 3-[(ISOPROPYLAMINO)SULFONYL]-4-METHOXYBENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2101419.gif)
![CAS 701291-30-7 6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/701291-30-7.gif)
![CAS 701298-97-7 3-BROMO-6,7,8,9-TETRAHYDRO-5H-IMIDAZO[1,2-A]AZEPINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1179161.gif)
![CAS 701897-99-6 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/701897-99-6.gif)
