[email protected]
CAS 1150114-50-3 2-Propoxypyridine-5-boronic acid molecular structure lightbox
CAS RN: 1150114-50-3

2-Propoxypyridine-5-boronic acid

  • Product code: SSC-014712
GET A QUOTE
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
Request Bulk Quote

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 1150114-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1150114-50-3 / (6-propoxy-3-pyridinyl)boronic acid

(6-Propoxypyridin-3-yl)boronic acid | 2-PROPOXYPYRIDINE-5-BORONIC ACID | 6-propoxypyridin-3-ylboronic acid

Standard CAS: 1150114-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150114-50-3
Multi CAS
No
Molecular Formula
C8H12BNO3
Molecular Weight
181.000000
Exact Mass
181.091023
SMILES
B(C1=CN=C(C=C1)OCCC)(O)O
InChI
InChI=1S/C8H12BNO3/c1-2-5-13-8-4-3-7(6-10-8)9(11)12/h3-4,6,11-12H,2,5H2,1H3
InChIKey
CJLTUVAWEWYGJU-UHFFFAOYSA-N
Synonyms
(6-Propoxypyridin-3-yl)boronic acid 2-PROPOXYPYRIDINE-5-BORONIC ACID 6-propoxypyridin-3-ylboronic acid MFCD11855844 6-Propoxypyridine-3-boronic acid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.85
TPSA
62.58

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us