Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 0.25g, 25g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 1 In Stock | Shenzhen | Inquiry |
22715-27-1 / pyrimidine-2,5-diamine
Basic Information
CAS
22715-27-1
Multi CAS
No
Molecular Formula
C4H6N4
Molecular Weight
110.120000
Exact Mass
110.059246
SMILES
C1=C(C=NC(=N1)N)N
InChI
InChI=1S/C4H6N4/c5-3-1-7-4(6)8-2-3/h1-2H,5H2,(H2,6,7,8)
InChIKey
DNACGYGXUFTEHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
30.86
TPSA
77.82
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.33
XLogP3
-0.8
Consensus LogP
-0.5
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.08
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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
N,N’-HEXAMETHYLENE-1,6-BIS(1-AZIRIDINECARBOXAMIDE)
- CAS RN: 2271-93-4
- Product Code: SSC-110744
