CAS RN: 1214-39-7
N6-Benzyladenine
Product Availability
Choose a grade to view its available package options.
15 package records15 with current stock6 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250620 | 50ml / 100ml / 250ml / 500ml / 1L | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260511 | 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250117 | 1g / 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-023563
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1214-39-7 / N-benzyl-7H-purin-6-amine
Basic Information
CAS
1214-39-7
Multi CAS
No
Molecular Formula
C12H11N5
Molecular Weight
225.250000
Exact Mass
225.101445
SMILES
C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKey
NWBJYWHLCVSVIJ-UHFFFAOYSA-N
Physical Properties
Melting Point
234-235 °C
229 °C
Physical Description
Colorless solid; Technical product is off-white solid; [HSDB] White solid; Formulated as soluble concentrate/liquid; [Reference #1] Light yellow powder;
Solid
Appearance
Colorless, fine needles
State
Solid
Storage Conditions
Do not contaminate water, food, or feed by storage and disposal. PESTICIDE STORAGE: Keep containers tightly closed when not in use. /6-Benzylaminopurine Technical/
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.45
TPSA
66.49
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
2.1
Consensus LogP
1.93
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
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
Health Hazard
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (51%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (52%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (52%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (51%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H361d (28%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
P273, and P501
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P317, P318, P319, P330, P337+P317, P403+P233, P405, and P501
