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CAS 105882-69-7 LY 267108 molecular structure lightbox
CAS RN: 105882-69-7

LY 267108

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Batchno.20260503 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS105882-69-7
  • Purity/Analytical Methods: >99.0%
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105882-69-7 / (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one

BX9Y83P7PB | LY 267108 | LY-267108

Standard CAS: 105882-69-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105882-69-7
Multi CAS
Yes
Molecular Formula
C37H65NO12
Molecular Weight
715.900000
Exact Mass
715.450677
SMILES
CC[C@H]([C@](C)([C@H]1[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)O
InChI
InChI=1S/C37H65NO12/c1-14-25(39)37(10,43)32-20(4)28-18(2)16-36(9,50-28)31(49-34-27(40)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)48-32)47-26-17-35(8,44-13)30(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30+,31-,32-,34+,35-,36-,37-/m1/s1
InChIKey
NMIWBQUQCOMGHJ-FYFYGOHNSA-N
Synonyms
BX9Y83P7PB LY 267108 LY-267108 ly267108 RefChem:925025

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
4
Molar refractivity
183.65
TPSA
165.84

LogP / Solubility

WLOGP
2.89
MLOGP
2.61
XLogP3
2.4
Consensus LogP
2.63
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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