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CAS 873302-37-5 3-(5-BROMO-PYRIDIN-3-YL)-PROP-2-YN-1-OL molecular structure lightbox
CAS RN: 873302-37-5

3-(5-BROMO-PYRIDIN-3-YL)-PROP-2-YN-1-OL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS873302-37-5
  • Purity/Analytical Methods: >99.0%
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873302-37-5 / 3-(5-bromo-3-pyridinyl)prop-2-yn-1-ol

Standard CAS: 873302-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
873302-37-5
Multi CAS
No
Molecular Formula
BC8H6ORn
Molecular Weight
212.040000
Exact Mass
210.963280
InChI
InChI=1S/C8H6BrNO/c9-8-4-7(2-1-3-11)5-10-6-8/h4-6,11H,3H2
InChIKey
FWQZFIXVXRTDRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.9
TPSA
33.12

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.1
Consensus LogP
1.11
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.17

Drug-likeness / Medicinal Chemistry

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

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