CAS RN: 16900-53-1
Bromopropiolic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260327 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS16900-53-1
- Purity/Analytical Methods: >99.0%
16900-53-1 / 3-bromoprop-2-ynoic acid
Basic Information
CAS
16900-53-1
Multi CAS
No
Molecular Formula
C3HBrO2
Molecular Weight
148.940000
Exact Mass
147.915990
SMILES
C(#CBr)C(=O)O
InChI
InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6)
InChIKey
ZSHNFLCNZCPFAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.34
TPSA
37.3
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
1.3
Consensus LogP
0.7
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-3.33
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
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- CAS RN: 16915-70-1
- Product Code: starshine_CAS16915-70-1
- Purity/Analytical method: >99.0%
