CAS RN: 1310384-87-2
6-(DI-BOC-AMINO)PYRIDINE-2-BORONIC ACID PINACOL ESTER
- Product code: SSC-037683
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 10g, 1g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 4 In Stock | Beijing | Inquiry |
| 25g | >95% | 3 In Stock | Beijing | Inquiry |
1310384-87-2 / tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
Basic Information
CAS
1310384-87-2
Multi CAS
No
Molecular Formula
C21H33BN2O6
Molecular Weight
420.300000
Exact Mass
420.243167
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C21H33BN2O6/c1-18(2,3)27-16(25)24(17(26)28-19(4,5)6)15-13-11-12-14(23-15)22-29-20(7,8)21(9,10)30-22/h11-13H,1-10H3
InChIKey
VKNZXYHMNGMQRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
114.9
TPSA
87.19
LogP / Solubility
WLOGP
4.06
MLOGP
3.6
XLogP3
4.06
Consensus LogP
3.91
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4
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
-
3-Methoxythiophene-2-boronic acid pinacol ester
- CAS RN: 1310384-98-5
- Product Code: SSC-037684
-
4-Ethoxy-2,6-difluorophenylboronic acid
- CAS RN: 1310403-94-1
- Product Code: starshine_CAS1310403-94-1
- Purity/Analytical method: >99.0%
-
6-Bromo-3-fluoro-2-ethoxyphenylboronic acid
- CAS RN: 1310403-98-5
- Product Code: starshine_CAS1310403-98-5
- Purity/Analytical method: >99.0%
-
tert-Butyl 4-(2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl)piperazine-1-carboxyla
- CAS RN: 1310404-00-2
- Product Code: SSC-037687
-
Boc-5-AMinopyridine-2-boronic acid pinacol ester
- CAS RN: 1310404-08-0
- Product Code: SSC-037688
-
![CAS 1310404-00-2 tert-Butyl 4-(2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl)piperazine-1-carboxyla molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1310404-00-2.gif)
