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CAS 90503-06-3 AzithroMycin N-Oxide molecular structure lightbox
CAS RN: 90503-06-3

AzithroMycin N-Oxide

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3 package records2 with current stock2 grade groups
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Batchno.20250809 10mg In stock Inquiry
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Batchno.20260416 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS90503-06-3
  • Purity/Analytical Methods: >99.0%
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90503-06-3 / 2-[[2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide

Standard CAS: 90503-06-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90503-06-3
Multi CAS
Yes
Molecular Formula
C38H72N2O13
Molecular Weight
765.000000
Exact Mass
764.503440
InChI
InChI=1S/C38H72N2O13/c1-15-27-38(10,46)31(42)24(6)39(11)19-20(2)17-36(8,45)33(53-35-29(41)26(40(12,13)47)16-21(3)49-35)22(4)30(23(5)34(44)51-27)52-28-18-37(9,48-14)32(43)25(7)50-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
DEORMZXNPDWMST-BICOPXKESA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.97
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
5
Molar refractivity
195.97
TPSA
199.9

LogP / Solubility

WLOGP
1.91
MLOGP
1.75
XLogP3
4
Consensus LogP
2.55
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
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)
-6.03

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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