CAS RN: 14403-45-3
L-B-IMIDAZOLELACTIC ACID, MONOHYDRATE
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.20260510 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS14403-45-3
- Purity/Analytical Methods: >99.0%
14403-45-3 / (2S)-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
Basic Information
CAS
14403-45-3
Multi CAS
No
Molecular Formula
C6H8N2O3
Molecular Weight
156.140000
Exact Mass
156.053492
SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)O
InChI
InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)/t5-/m0/s1
InChIKey
ACZFBYCNAVEFLC-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
35.93
TPSA
86.21
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.54
XLogP3
-0.7
Consensus LogP
-0.61
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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