CAS RN: 25348-64-5
CONDURITOL B
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.20251019 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS25348-64-5
- Purity/Analytical Methods: >99.0%
25348-64-5 / (1S,2R,3R,4S)-cyclohex-5-ene-1,2,3,4-tetrol
Basic Information
CAS
25348-64-5
Multi CAS
No
Molecular Formula
C6H10O4
Molecular Weight
146.140000
Exact Mass
146.057909
SMILES
C1=C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O
InChI
InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4-,5+,6+/m0/s1
InChIKey
LRUBQXAKGXQBHA-UNTFVMJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
4
H-bond donors
4
Molar refractivity
33.17
TPSA
80.92
LogP / Solubility
WLOGP
-2
MLOGP
-1.77
XLogP3
-2.1
Consensus LogP
-1.96
Log S (ESOL)
0.51
Class (ESOL)
Highly soluble
Log S (Ali)
0.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.05
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)
-5.03
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
3.5
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