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CAS 1143-20-0 9-Anthracenecarboxylicacid, 9,10-dihydro- molecular structure lightbox
CAS RN: 1143-20-0

9-Anthracenecarboxylicacid, 9,10-dihydro-

  • Product code: SSC-014136
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1143-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1143-20-0 / 9,10-dihydroanthracene-9-carboxylic acid

9,10-dihydroanthracene-9-carboxylic acid | 9-Anthracenecarboxylic acid, 9,10-dihydro- | MFCD00156951

Standard CAS: 1143-20-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1143-20-0
Multi CAS
Yes
Molecular Formula
C15H12O2
Molecular Weight
224.250000
Exact Mass
224.083730
SMILES
C1C2=CC=CC=C2C(C3=CC=CC=C31)C(=O)O
InChI
InChI=1S/C15H12O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
InChIKey
HAMMHSUBQYOIFQ-UHFFFAOYSA-N
Synonyms
9,10-dihydroanthracene-9-carboxylic acid 9-Anthracenecarboxylic acid, 9,10-dihydro- MFCD00156951 9-Anthracenecarboxylicacid, 9,10-dihydro- MLS003106486

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.17
TPSA
37.3

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
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)
-2.09

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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