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CAS 2377607-93-5 6-Carboxy-2-naphthaleneboronicacid molecular structure lightbox
CAS RN: 2377607-93-5

6-Carboxy-2-naphthaleneboronicacid

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251024 100mg Out of stock Inquiry
Batchno.20250925 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251014 1g In stock Shanghai Inquiry
Batchno.20251221 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2377607-93-5
  • Purity/Analytical Methods: >99.0%
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2377607-93-5 / 6-borononaphthalene-2-carboxylic acid

Standard CAS: 2377607-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2377607-93-5
Multi CAS
No
Molecular Formula
C11H9BO4
Molecular Weight
216.000000
Exact Mass
216.059389
SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)C(=O)O)(O)O
InChI
InChI=1S/C11H9BO4/c13-11(14)9-2-1-8-6-10(12(15)16)4-3-7(8)5-9/h1-6,15-16H,(H,13,14)
InChIKey
UOYRMXZMTPOPCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
60.73
TPSA
77.76

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.88

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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