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CAS 612069-27-9 N’,N’-Di(desmethyl) Azithromycin molecular structure lightbox
CAS RN: 612069-27-9

N’,N’-Di(desmethyl) Azithromycin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS612069-27-9
  • Purity/Analytical Methods: >99.0%
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612069-27-9 / 11-(4-amino-3-hydroxy-6-methyloxan-2-yl)oxy-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-1-oxa-6-azacyclopentadecan-15-one

Standard CAS: 612069-27-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
612069-27-9
Multi CAS
Yes
Molecular Formula
C36H68N2O12
Molecular Weight
720.900000
Exact Mass
720.477226
InChI
InChI=1S/C36H68N2O12/c1-13-25-36(10,44)29(40)22(6)38(11)17-18(2)15-34(8,43)31(50-33-27(39)24(37)14-19(3)46-33)20(4)28(21(5)32(42)48-25)49-26-16-35(9,45-12)30(41)23(7)47-26/h18-31,33,39-41,43-44H,13-17,37H2,1-12H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1
InChIKey
PCDDIDGPAIGEHC-GGNUPITBSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.97
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
6
Molar refractivity
184.68
TPSA
202.86

LogP / Solubility

WLOGP
1.3
MLOGP
1.2
XLogP3
3
Consensus LogP
1.83
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.14
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)
-6.2

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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