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CAS 7330-46-3 5,5′-Methylenebis(2-aminobenzoic Acid) molecular structure lightbox
CAS RN: 7330-46-3

5,5′-Methylenebis(2-aminobenzoic Acid)

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 10g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260509 1g Out of stock Inquiry
Batchno.20250810 250mg In stock Shenzhen Inquiry
Batchno.20260301 25g In stock Shenzhen Inquiry
Batchno.20260402 5g Out of stock Inquiry
  • Product code: ICTM0717
  • Purity/Analytical Methods: >96.0%(T)(HPLC)
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7330-46-3 / 2-amino-5-[(4-amino-3-carboxyphenyl)methyl]benzoic acid

Standard CAS: 7330-46-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7330-46-3
Multi CAS
Yes
Molecular Formula
C15H14N2O4
Molecular Weight
286.280000
Exact Mass
286.095357
InChI
InChI=1S/C15H14N2O4/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7H,5,16-17H2,(H,18,19)(H,20,21)
InChIKey
QRUWUSOUUMPANJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
78.43
TPSA
126.64

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
2.6
Consensus LogP
2.02
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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