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CAS 669713-80-8 3-BIPHENYL-3′,5′-DICHLORO-ACETIC ACID molecular structure lightbox
CAS RN: 669713-80-8

3-BIPHENYL-3′,5′-DICHLORO-ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS669713-80-8
  • Purity/Analytical Methods: >99.0%
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669713-80-8 / 2-[3-(3,5-dichlorophenyl)phenyl]acetic acid

Standard CAS: 669713-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
669713-80-8
Multi CAS
No
Molecular Formula
C14H10CL2O2
Molecular Weight
281.100000
Exact Mass
280.005785
InChI
InChI=1S/C14H10Cl2O2/c15-12-6-11(7-13(16)8-12)10-3-1-2-9(4-10)5-14(17)18/h1-4,6-8H,5H2,(H,17,18)
InChIKey
JCGACYUTIHYERA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.24
TPSA
37.3

LogP / Solubility

WLOGP
4.29
MLOGP
3.78
XLogP3
4.3
Consensus LogP
4.12
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39

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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