CAS RN: 6659-35-4
6-GUANIDINOHEXANOIC 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.20250204 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6659-35-4
- Purity/Analytical Methods: >99.0%
6659-35-4 / 6-(diaminomethylideneamino)hexanoic acid
Basic Information
CAS
6659-35-4
Multi CAS
Yes
Molecular Formula
C7H15N3O2
Molecular Weight
173.210000
Exact Mass
173.116427
InChI
InChI=1S/C7H15N3O2/c8-7(9)10-5-3-1-2-4-6(11)12/h1-5H2,(H,11,12)(H4,8,9,10)
InChIKey
NSDYIDKTTPXCRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
3
Molar refractivity
46.78
TPSA
101.7
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.8
Consensus LogP
-0.33
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.43
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)
-3.84
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
1.5
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