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CAS 61349-11-9 Desmethyl-5′-methoxylaudanosine molecular structure lightbox
CAS RN: 61349-11-9

Desmethyl-5′-methoxylaudanosine

  • Product code: SSC-170188
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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: ≥95%
  • 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 61349-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

61349-11-9 / 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one

Standard CAS: 61349-11-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61349-11-9
Multi CAS
Yes
Molecular Formula
C21H25NO5
Molecular Weight
371.400000
Exact Mass
371.173273
InChI
InChI=1S/C21H25NO5/c1-23-17-11-14-6-7-22-16(15(14)12-18(17)24-2)8-13-9-19(25-3)21(27-5)20(10-13)26-4/h9-12H,6-8H2,1-5H3
InChIKey
MMQNZPHFAPHRDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
13
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
104.48
TPSA
66.02

LogP / Solubility

WLOGP
2.95
MLOGP
2.62
XLogP3
1.4
Consensus LogP
2.32
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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