![CAS 2304631-70-5 2-chloro-N-[trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexyl]-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB63032651.gif)
CAS RN: 2304631-70-5
2-chloro-N-[trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexyl]-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine
- Product code: SSC-111899
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 | Beijing | Inquiry |
2304631-70-5 / N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-amine
Basic Information
CAS
2304631-70-5
Multi CAS
No
Molecular Formula
C22H39BClN3O3Si
Molecular Weight
467.900000
Exact Mass
467.254227
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2NC3CCC(CC3)O[Si](C)(C)C(C)(C)C)Cl
InChI
InChI=1S/C22H39BClN3O3Si/c1-20(2,3)31(8,9)28-16-12-10-15(11-13-16)26-18-17(14-25-19(24)27-18)23-29-21(4,5)22(6,7)30-23/h14-16H,10-13H2,1-9H3,(H,25,26,27)
InChIKey
KCWJSZPHESHXPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
130.71
TPSA
65.5
LogP / Solubility
WLOGP
5.17
MLOGP
4.59
XLogP3
5.17
Consensus LogP
4.98
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
tert-butyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
- CAS RN: 2304631-77-2
- Product Code: SSC-111900
-
1-Isobutyl-3-(trifluoroMethyl)pyrazole-5-boronic acid
- CAS RN: 2304633-89-2
- Product Code: SSC-111903
-
tert-Butyl 6-benzyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
- CAS RN: 2304633-94-9
- Product Code: SSC-111905
-
4-[4-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonyl]piperidine hydrochloride
- CAS RN: 2304634-02-2
- Product Code: SSC-111908
-
Boronic acid, B-(2-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-
- CAS RN: 2304634-03-3
- Product Code: SSC-111909
-
1-Cyclopentyl-3-(trifluoroMethyl)pyrazole-4-boronic acid
- CAS RN: 2304634-13-5
- Product Code: SSC-111910
![CAS 2304634-02-2 4-[4-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonyl]piperidine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92704367.gif)
![CAS 2304634-03-3 Boronic acid, B-(2-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304634-03-3.gif)
