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CAS 3922-90-5 oleandomycin molecular structure lightbox
CAS RN: 3922-90-5

oleandomycin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3922-90-5
  • Purity/Analytical Methods: >99.0%
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3922-90-5 / 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione

Standard CAS: 3922-90-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3922-90-5
Multi CAS
Yes
Molecular Formula
C35H61NO12
Molecular Weight
687.900000
Exact Mass
687.419376
InChI
InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3
InChIKey
RZPAKFUAFGMUPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.94
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
3
Molar refractivity
173.62
TPSA
165.98

LogP / Solubility

WLOGP
1.91
MLOGP
1.74
XLogP3
2.6
Consensus LogP
2.08
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.44
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
No
Log Kp (skin permeation)
-5.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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