CAS RN: 697739-22-3
2-CHLORO-6-METHYLPYRIDINE-4-BORONIC ACID PINACOL ESTER
- Product code: SSC-179525
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
697739-22-3 / 2-chloro-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic Information
CAS
697739-22-3
Multi CAS
Yes
Molecular Formula
C12H17BCLNO2
Molecular Weight
253.530000
Exact Mass
253.104087
InChI
InChI=1S/C12H17BClNO2/c1-8-6-9(7-10(14)15-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
InChIKey
CDNAAWYZHQPEAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.7
TPSA
31.35
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-CHLORO-6-METHOXYPYRIDINE-4-BORONIC ACID PINACOL ESTER
- CAS RN: 697739-24-5
- Product Code: SSC-179526
-
-
(S)-2-(1-Hydroxy-1-methylethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 698347-48-7
- Product Code: SSC-179606
-
Oxazole, 2,2′-(1-methyl-2-phenylethylidene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4’S)-
- CAS RN: 698350-53-7
- Product Code: SSC-179607
-
2-(2-((2,6-Dichloro-4-Methoxyphenyl)aMino)phenyl)-N,N-diMethylacetaMide
- CAS RN: 698357-36-7
- Product Code: starshine_CAS698357-36-7
- Purity/Analytical method: >99.0%
-
(1R)-1-(2-METHYLPHENYL)BUTYLAMINE HCl
- CAS RN: 698378-41-5
- Product Code: starshine_CAS698378-41-5
- Purity/Analytical method: >99.0%
