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CAS 91539-64-9 4′-(Aminomethyl)fluoresceinehydrochloride molecular structure lightbox
CAS RN: 91539-64-9

4′-(Aminomethyl)fluoresceinehydrochloride

Product Availability

Available package options are listed below.

4 package records1 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 1mg Out of stock Inquiry
Batchno.20260409 25mg Out of stock 8-10 business days Inquiry
Batchno.20260128 25mg Out of stock Inquiry
Batchno.20260309 5mg In stock Inquiry
  • Product code: starshine_CAS91539-64-9
  • Purity/Analytical Methods: >99.0%
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91539-64-9 / 7-(aminomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydrochloride

Standard CAS: 91539-64-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91539-64-9
Multi CAS
Yes
Molecular Formula
C21H16CLNO5
Molecular Weight
397.800000
Exact Mass
397.071700
InChI
InChI=1S/C21H15NO5.ClH/c22-10-11-2-1-3-16-19(11)20(25)27-21(16)14-6-4-12(23)8-17(14)26-18-9-13(24)5-7-15(18)21;/h1-9,23-24H,10,22H2;1H
InChIKey
IWNKTMSFMCEAEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
103.17
TPSA
102.01

LogP / Solubility

WLOGP
3.55
MLOGP
3.14
XLogP3
3.55
Consensus LogP
3.41
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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