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CAS 518-82-1 Emodin molecular structure lightbox
CAS RN: 518-82-1

Emodin

Product Availability

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20 package records19 with current stock6 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250216 100mg In stock Inquiry
Batchno.20250207 10g Out of stock Inquiry
Batchno.20260506 1g In stock Inquiry
Batchno.20250622 250mg In stock Inquiry
Batchno.20250706 25g In stock Inquiry
Batchno.20260515 500mg In stock Inquiry
Batchno.20250506 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251223 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251110 100mg / 500mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250928 100g In stock Shanghai Inquiry
Batchno.20250910 10g In stock Shanghai Inquiry
Batchno.20250114 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260422 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250101 25g In stock Shanghai Inquiry
Batchno.20250327 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260607 100mg In stock Inquiry
Batchno.20250526 1g In stock Inquiry
Batchno.20260510 20mg In stock Inquiry
Batchno.20250603 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 20mg / 50mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-158786
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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: 25g
  • 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 518-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

518-82-1 / 1,3,8-trihydroxy-6-methylanthracene-9,10-dione

Standard CAS: 518-82-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
518-82-1
Multi CAS
Yes
Molecular Formula
C15H10O5
Molecular Weight
270.240000
Exact Mass
270.052823
InChI
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKey
RHMXXJGYXNZAPX-UHFFFAOYSA-N

Physical Properties

Melting Point
493 to 495 °F (NTP, 1992) 256-257 °C Brick red monoclinic needles; mp: 207 °C /3-Methyl ether/ Pale yellow needles; mp: 225 °C /Trimethyl ether/ 266 - 268 °C
Boiling Point
Sublimes (NTP, 1992)
Physical Description
Emodin appears as orange needles or powder. (NTP, 1992) Solid
Appearance
Orange needles from alcohol or by sublimation at 12 mm
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
H-bond acceptors
5
H-bond donors
3
Molar refractivity
69.48
TPSA
94.83

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
2.7
Consensus LogP
2.09
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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