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CAS RN: 364070-92-8
3-Pyridazinecarboxylic acid, hexahydro-5-hydroxy-, (3R,5R)- (9CI)
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.20250111 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS364070-92-8
- Purity/Analytical Methods: >99.0%
364070-92-8 / (3R,5R)-5-hydroxydiazinane-3-carboxylic acid
Basic Information
CAS
364070-92-8
Multi CAS
No
Molecular Formula
C5H10N2O3
Molecular Weight
146.140000
Exact Mass
146.069142
InChI
InChI=1S/C5H10N2O3/c8-3-1-4(5(9)10)7-6-2-3/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4-/m1/s1
InChIKey
NRUKNRPYMNPMRU-QWWZWVQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
33.19
TPSA
81.59
LogP / Solubility
WLOGP
-1.7
MLOGP
-1.5
XLogP3
-3.6
Consensus LogP
-2.27
Log S (ESOL)
0.39
Class (ESOL)
Highly soluble
Log S (Ali)
0.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
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)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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