CAS RN: 149376-70-5
2-AMINO-6-CHLORO-9H-PURINE-9-ACETIC 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.20250806 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS149376-70-5
- Purity/Analytical Methods: >99.0%
149376-70-5 / 2-(2-amino-6-chloropurin-9-yl)acetic acid
Basic Information
CAS
149376-70-5
Multi CAS
No
Molecular Formula
C7H6ClN5O2
Molecular Weight
227.610000
Exact Mass
227.021002
SMILES
C1=NC2=C(N1CC(=O)O)N=C(N=C2Cl)N
InChI
InChI=1S/C7H6ClN5O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)(H2,9,11,12)
InChIKey
LRZBBTTUKFVUMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
52.38
TPSA
106.92
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
0.4
Consensus LogP
0.23
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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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