CAS RN: 1256360-50-5
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydroquinoline
- Product code: SSC-030476
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 | Shenzhen | Inquiry |
1256360-50-5 / 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydroquinoline
Basic Information
CAS
1256360-50-5
Multi CAS
No
Molecular Formula
C15H22BNO2
Molecular Weight
259.150000
Exact Mass
259.174359
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCCC3)N=C2
InChI
InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-11-7-5-6-8-13(11)17-10-12/h9-10H,5-8H2,1-4H3
InChIKey
JNIVVYUCVMLVLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
76.6
TPSA
31.35
LogP / Solubility
WLOGP
2.26
MLOGP
2
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.7
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
-
1-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine
- CAS RN: 1256360-54-9
- Product Code: starshine_CAS1256360-54-9
- Purity/Analytical method: >99.0%
-
2-(4-(Bromomethyl)-2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1256360-55-0
- Product Code: SSC-030477
-
2-CHLORO-5-FLUOROPYRIDINE-4-BORONIC ACID PINACOL ESTER
- CAS RN: 1256360-62-9
- Product Code: SSC-030478
-
N-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 1256360-63-0
- Product Code: SSC-030479
-
Lithium triisopropyl 2-(5-methoxypyridyl)borate
- CAS RN: 1256364-38-1
- Product Code: starshine_CAS1256364-38-1
- Purity/Analytical method: >99.0%
-
Potassium (t-butylaminomethyl)trifluoroborate
- CAS RN: 1256366-05-8
- Product Code: starshine_CAS1256366-05-8
- Purity/Analytical method: >99.0%
