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CAS 4579-64-0 D-Lysergic Acid Methyl Ester molecular structure lightbox
CAS RN: 4579-64-0

D-Lysergic Acid Methyl Ester

  • Product code: SSC-153422
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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: 1g, 5g, 0.25g, 0.1g, 25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 4579-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 4 In Stock Beijing Inquiry
0.1g >97% 3 In Stock Shenzhen Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Beijing Inquiry

4579-64-0 / methyl 7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

Standard CAS: 4579-64-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4579-64-0
Multi CAS
Yes
Molecular Formula
C17H18N2O2
Molecular Weight
282.340000
Exact Mass
282.136828
InChI
InChI=1S/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3/t11-,15-/m1/s1
InChIKey
RNHDWLRHUJZABX-IAQYHMDHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.35
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.9
TPSA
45.33

LogP / Solubility

WLOGP
2.21
MLOGP
1.96
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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