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CAS 18499-84-8 laccaic acid D molecular structure lightbox
CAS RN: 18499-84-8

laccaic acid D

  • Product code: SSC-085554
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.05g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18499-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.05g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

18499-84-8 / 3,6,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid

Standard CAS: 18499-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18499-84-8
Multi CAS
No
Molecular Formula
C16H10O7
Molecular Weight
314.250000
Exact Mass
314.042653
SMILES
CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
InChI
InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)
InChIKey
DDTNCHWMNZLWKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
76.44
TPSA
132.13

LogP / Solubility

WLOGP
1.59
MLOGP
1.41
XLogP3
2.8
Consensus LogP
1.93
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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