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CAS 33627-01-9 6-acetyl-2-naphthoic acid molecular structure lightbox
CAS RN: 33627-01-9

6-acetyl-2-naphthoic acid

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250408 100mg In stock Shanghai Inquiry
Batchno.20250215 100mg In stock Shanghai Inquiry
Batchno.20250818 1g Out of stock 8-10 business days Inquiry
Batchno.20250923 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251103 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250525 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS33627-01-9
  • Purity/Analytical Methods: >99.0%
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33627-01-9 / 6-acetylnaphthalene-2-carboxylic acid

Standard CAS: 33627-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33627-01-9
Multi CAS
No
Molecular Formula
C13H10O3
Molecular Weight
214.220000
Exact Mass
214.062994
InChI
InChI=1S/C13H10O3/c1-8(14)9-2-3-11-7-12(13(15)16)5-4-10(11)6-9/h2-7H,1H3,(H,15,16)
InChIKey
RENRXKAWNUMITR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.91
TPSA
54.37

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.08

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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