![CAS 1370616-23-1 tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1370616-23-1.gif)
CAS RN: 1370616-23-1
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260406 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1370616-23-1
- Purity/Analytical Methods: >99.0%
1370616-23-1 / tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
Basic Information
CAS
1370616-23-1
Multi CAS
No
Molecular Formula
C18H25BN2O4
Molecular Weight
344.200000
Exact Mass
344.190737
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-9-8-12-10-13(11-20-14(12)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChIKey
YMTQEKULAXKNKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
97.08
TPSA
62.58
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.12
Consensus LogP
3
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
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
2.5
Customers Also Viewed
-
METHYL 1-(4-CHLOROPHENYL)-3-OXOCYCLOBUTANECARBOXYLATE(WX160400)
- CAS RN: 1370618-03-3
- Product Code: SSC-046597
-
-
(R)-Bi(tert-butyl)(6-chloro-4-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridazin-3-yl)carbaMate
- CAS RN: 1370651-32-3
- Product Code: SSC-046602
-
6-[Bis[(1,1-diMethylethoxy)carbonyl]aMino]-5-[(1r)-1- (2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxylic acid ethyl ester
- CAS RN: 1370651-34-5
- Product Code: SSC-046603
-
-
Aminooxy-PEG7-methane
- CAS RN: 1370698-27-3
- Product Code: starshine_CAS1370698-27-3
- Purity/Analytical method: >99.0%
![CAS 1370651-34-5 6-[Bis[(1,1-diMethylethoxy)carbonyl]aMino]-5-[(1r)-1- (2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1370651-34-5.gif)
