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CAS 2035-15-6 (-)-Maackiain molecular structure lightbox
CAS RN: 2035-15-6

(-)-Maackiain

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 100mg Out of stock Inquiry
Batchno.20250503 10mg In stock Shanghai Inquiry
Batchno.20250312 1mg In stock Shanghai Inquiry
Batchno.20250419 25mg In stock Shanghai Inquiry
Batchno.20250408 50mg Out of stock Inquiry
Batchno.20251102 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2035-15-6
  • Purity/Analytical Methods: >99.0%
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2035-15-6 / (1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol

Standard CAS: 2035-15-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
2035-15-6
Multi CAS
No
Molecular Formula
C16H12O5
Molecular Weight
284.260000
Exact Mass
284.068473
SMILES
C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
InChI
InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1
InChIKey
HUKSJTUUSUGIDC-ZBEGNZNMSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.28
TPSA
57.15

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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