![CAS 84310-45-2 GUANIDINE, [(4S)-4-AMINO-5-HYDROXYPENTYL]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84310-45-2.gif)
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: 1g
- Available purity: ≥95%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
84310-45-2 / 2-[(4S)-4-amino-5-hydroxypentyl]guanidine
Basic Information
CAS
84310-45-2
Multi CAS
No
Molecular Formula
C6H16N4O
Molecular Weight
160.220000
Exact Mass
160.132411
InChI
InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1
InChIKey
UFAABHKZLQFLSG-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
4
Molar refractivity
44.97
TPSA
110.65
LogP / Solubility
WLOGP
-1.64
MLOGP
-1.45
XLogP3
-2.2
Consensus LogP
-1.76
Log S (ESOL)
0.53
Class (ESOL)
Highly soluble
Log S (Ali)
0.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly 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)
-4.86
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
2
