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CAS 1073354-73-0 6-[CYCLOHEXYL(METHYL)AMINO]PYRIDINE-3-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 1073354-73-0

6-[CYCLOHEXYL(METHYL)AMINO]PYRIDINE-3-BORONIC ACID PINACOL ESTER

  • Product code: SSC-008917
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1073354-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1073354-73-0 / N-cyclohexyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N-Cyclohexyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine | 6-[CYCLOHEXYL(METHYL)AMINO]PYRIDINE-3-BORONIC ACID PINACOL ESTER | MFCD09027071

Standard CAS: 1073354-73-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1073354-73-0
Multi CAS
Yes
Molecular Formula
C18H29BN2O2
Molecular Weight
316.200000
Exact Mass
316.232208
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N(C)C3CCCCC3
InChI
InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)14-11-12-16(20-13-14)21(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3
InChIKey
YTYXLMDYYHVPOF-UHFFFAOYSA-N
Synonyms
N-Cyclohexyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine 6-[CYCLOHEXYL(METHYL)AMINO]PYRIDINE-3-BORONIC ACID PINACOL ESTER MFCD09027071 DTXSID40590379 AKOS005259470

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
95.23
TPSA
34.59

LogP / Solubility

WLOGP
3.15
MLOGP
2.79
XLogP3
3.15
Consensus LogP
3.03
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

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

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