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CAS 326802-08-8 4′-AMinoMethyl-5-FAM molecular structure lightbox
CAS RN: 326802-08-8

4′-AMinoMethyl-5-FAM

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS326802-08-8
  • Purity/Analytical Methods: >99.0%
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326802-08-8 / 4'-(aminomethyl)-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

Standard CAS: 326802-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
326802-08-8
Multi CAS
No
Molecular Formula
C22H15NO7
Molecular Weight
405.400000
Exact Mass
405.084852
InChI
InChI=1S/C22H15NO7/c23-9-13-17(25)6-5-15-19(13)29-18-8-11(24)2-4-14(18)22(15)16-7-10(20(26)27)1-3-12(16)21(28)30-22/h1-8,24-25H,9,23H2,(H,26,27)
InChIKey
WKWIUZDEDIGFMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
102.88
TPSA
139.31

LogP / Solubility

WLOGP
2.82
MLOGP
2.51
XLogP3
0.1
Consensus LogP
1.81
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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