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CAS 6271-21-2 Dihydrolycorine, Analytical reference molecular structure lightbox
CAS RN: 6271-21-2

Dihydrolycorine, Analytical reference

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5 package records4 with current stock2 grade groups
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Batchno.20260108 10mg In stock Shanghai Inquiry
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  • Product code: LIND889748
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6271-21-2 / (1S,15R,17S,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol

Standard CAS: 6271-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6271-21-2
Multi CAS
Yes
Molecular Formula
C16H19NO4
Molecular Weight
289.330000
Exact Mass
289.131408
InChI
InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11+,14+,15-,16-/m1/s1
InChIKey
VJILFEGOWCJNIK-MGRBZGILSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.24
TPSA
62.16

LogP / Solubility

WLOGP
0.83
MLOGP
0.74
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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