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CAS 4445-43-6 3-AMINO-1,1′-BIPHENYL-4-CARBOXYLICACID molecular structure lightbox
CAS RN: 4445-43-6

3-AMINO-1,1′-BIPHENYL-4-CARBOXYLICACID

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250408 100mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250731 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20251202 10g Out of stock Inquiry
Batchno.20250424 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250630 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250323 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS4445-43-6
  • Purity/Analytical Methods: >99.0%
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4445-43-6 / 2-amino-4-phenylbenzoic acid

Standard CAS: 4445-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4445-43-6
Multi CAS
No
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
InChI
InChI=1S/C13H11NO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
InChIKey
PJFIQJMFRCTVSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.25
TPSA
63.32

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
3
Consensus LogP
2.65
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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