CAS RN: 728008-13-7
3,4-Furandiamine,tetrahydro-N,N-dimethyl-,(3R,4R)-rel-(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.20260117 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS728008-13-7
- Purity/Analytical Methods: >99.0%
728008-13-7 / (3R,4R)-3-N,3-N-dimethyloxolane-3,4-diamine
Basic Information
CAS
728008-13-7
Multi CAS
Yes
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
InChI
InChI=1S/C6H14N2O/c1-8(2)6-4-9-3-5(6)7/h5-6H,3-4,7H2,1-2H3/t5-,6-/m0/s1
InChIKey
IUMNKTUVNOMOMG-WDSKDSINSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.27
TPSA
38.49
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.65
XLogP3
-0.9
Consensus LogP
-0.76
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.02
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.03
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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