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CAS 106070-31-9 2′,7′-dichlorodihydrofluorescein molecular structure lightbox
CAS RN: 106070-31-9

2′,7′-dichlorodihydrofluorescein

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 100mg In stock Shanghai Inquiry
Batchno.20250515 10mg In stock Shanghai Inquiry
Batchno.20260118 250mg In stock Shanghai Inquiry
Batchno.20260106 25mg In stock Shanghai Inquiry
Batchno.20250703 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS106070-31-9
  • Purity/Analytical Methods: >99.0%
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106070-31-9 / 2-(2,7-dichloro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid

DCFH2 compound | RefChem:565391 | 2,7-DCFH

Standard CAS: 106070-31-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106070-31-9
Multi CAS
Yes
Molecular Formula
C20H12Cl2O5
Molecular Weight
403.200000
Exact Mass
402.006179
SMILES
C1=CC=C(C(=C1)C2C3=CC(=C(C=C3OC4=CC(=C(C=C24)Cl)O)O)Cl)C(=O)O
InChI
InChI=1S/C20H12Cl2O5/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26/h1-8,19,23-24H,(H,25,26)
InChIKey
XDFNWJDGWJVGGN-UHFFFAOYSA-N
Synonyms
DCFH2 compound RefChem:565391 2,7-DCFH 2',7'-DCDHF 2',7'-Dichlorodihydrofluorescein

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
100.65
TPSA
86.99

LogP / Solubility

WLOGP
5.39
MLOGP
4.77
XLogP3
5
Consensus LogP
5.05
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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