![CAS 125335-70-8 Hexahydro-furo[3,2-b]furan-3,6-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125335-70-8.gif)
CAS RN: 125335-70-8
Hexahydro-furo[3,2-b]furan-3,6-diamine
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.20260208 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS125335-70-8
- Purity/Analytical Methods: >99.0%
125335-70-8 / (3S,3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
Basic Information
CAS
125335-70-8
Multi CAS
No
Molecular Formula
C6H12N2O2
Molecular Weight
144.170000
Exact Mass
144.089878
SMILES
C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N)N
InChI
InChI=1S/C6H12N2O2/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6H,1-2,7-8H2/t3-,4-,5+,6+/m0/s1
InChIKey
XHQWSUCHPAVLNQ-UNTFVMJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.43
TPSA
70.5
LogP / Solubility
WLOGP
-1.56
MLOGP
-1.38
XLogP3
-2.1
Consensus LogP
-1.68
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.7
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)
-4.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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