CAS RN: 474-07-7

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Batchno.20250718 10mg In stock Inquiry
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Batchno.20260321 25mg In stock Shanghai Inquiry
Batchno.20250525 50mg In stock Shanghai Inquiry
Batchno.20260417 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250401 1mg / 5mg / 20mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS474-07-7
  • Purity/Analytical Methods: >99.0%
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474-07-7 / (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol

Standard CAS: 474-07-7 Multi CAS: Yes

Basic Information

CAS
474-07-7
Multi CAS
Yes
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
InChI
InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1
InChIKey
UWHUTZOCTZJUKC-JKSUJKDBSA-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
4
Molar refractivity
73.87
TPSA
90.15

LogP / Solubility

WLOGP
1.61
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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