CAS RN: 67765-58-6
menisdaurin
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250826 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS67765-58-6
- Purity/Analytical Methods: >99.0%
67765-58-6 / 2-[(4S,6R)-4-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
Basic Information
CAS
67765-58-6
Multi CAS
Yes
Molecular Formula
C14H19NO7
Molecular Weight
313.300000
Exact Mass
313.116152
InChI
InChI=1S/C14H19NO7/c15-4-3-7-1-2-8(17)5-9(7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-3,8-14,16-20H,5-6H2/t8-,9-,10-,11-,12+,13-,14-/m1/s1
InChIKey
UTHVFIKQCUKKQW-IORQEQIJSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
5
Molar refractivity
72.1
TPSA
143.4
LogP / Solubility
WLOGP
-2.06
MLOGP
-1.8
XLogP3
-2.3
Consensus LogP
-2.05
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very 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)
-6.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
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