CAS RN: 37348-16-6
HYDROBROMIC ACID >33% IN ACETIC ACID
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS37348-16-6
- Purity/Analytical Methods: >99.0%
37348-16-6 / acetic acid;hydrobromide
Basic Information
CAS
37348-16-6
Multi CAS
Yes
Molecular Formula
C2H5BRO2
Molecular Weight
140.960000
Exact Mass
139.947290
InChI
InChI=1S/C2H4O2.BrH/c1-2(3)4;/h1H3,(H,3,4);1H
InChIKey
MNZMECMQTYGSOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.63
TPSA
37.3
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
0.67
Consensus LogP
0.64
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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