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CAS 71308-34-4 AG 1406 molecular structure lightbox
CAS RN: 71308-34-4

AG 1406

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 100mg In stock Inquiry
Batchno.20260322 10mg In stock Inquiry
Batchno.20260306 25mg In stock Inquiry
Batchno.20250520 50mg In stock Inquiry
Batchno.20260523 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71308-34-4
  • Purity/Analytical Methods: >99.0%
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71308-34-4 / 2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]propanedinitrile

Standard CAS: 71308-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71308-34-4
Multi CAS
No
Molecular Formula
C16H18N2O
Molecular Weight
254.330000
Exact Mass
254.141913
InChI
InChI=1S/C16H18N2O/c1-10(2)14-6-12(5-13(8-17)9-18)7-15(11(3)4)16(14)19/h5-7,10-11,19H,1-4H3
InChIKey
JSDJFOADLLJFQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.49
TPSA
67.81

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
3.9
Consensus LogP
3.85
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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