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CAS 27691-14-1 1,2-Bis(difluoromethoxy)benzene molecular structure lightbox
CAS RN: 27691-14-1

1,2-Bis(difluoromethoxy)benzene

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 100g In stock Shenzhen Inquiry
Batchno.20251218 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20250307 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250615 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS27691-14-1
  • Purity/Analytical Methods: >99.0%
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27691-14-1 / 1,2-bis(difluoromethoxy)benzene

Standard CAS: 27691-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27691-14-1
Multi CAS
No
Molecular Formula
C8H6F4O2
Molecular Weight
210.130000
Exact Mass
210.030392
InChI
InChI=1S/C8H6F4O2/c9-7(10)13-5-3-1-2-4-6(5)14-8(11)12/h1-4,7-8H
InChIKey
ITQCXTOQWOFOGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
39.71
TPSA
18.46

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
3.5
Consensus LogP
2.98
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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