CAS RN: 2304634-95-3
1-BOC-4-AZAINDOLE-3-BORONIC ACID PINACOL ESTER
- Product code: SSC-111925
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 |
2304634-95-3 / tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine-1-carboxylate
Basic Information
CAS
2304634-95-3
Multi CAS
No
Molecular Formula
C18H25BN2O4
Molecular Weight
344.200000
Exact Mass
344.190737
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2N=CC=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-11-12(14-13(21)9-8-10-20-14)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChIKey
FHHBVBZHPDTTTE-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
-
![CAS 2304635-01-4 {5-fluoro-1-[tris(propan-2-yl)silyl]-1H-indol-4-yl}boronic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
{5-fluoro-1-[tris(propan-2-yl)silyl]-1H-indol-4-yl}boronic acid
- CAS RN: 2304635-01-4
- Product Code: SSC-111926
-
Methyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carboxylate
- CAS RN: 2304635-05-8
- Product Code: SSC-111927
-
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(7-methyl-1-naphthalenyl)-
- CAS RN: 2304635-11-6
- Product Code: starshine_CAS2304635-11-6
- Purity/Analytical method: >99.0%
-
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
![CAS 2304635-01-4 {5-fluoro-1-[tris(propan-2-yl)silyl]-1H-indol-4-yl}boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB83121700.gif)
![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)
