CAS RN: 612069-25-7
3′-Des(diMethylaMino)-3′-keto AzithroMycin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250106 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS612069-25-7
- Purity/Analytical Methods: >99.0%
612069-25-7 / (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3S,6R)-3-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Basic Information
CAS
612069-25-7
Multi CAS
Yes
Molecular Formula
C36H65NO13
Molecular Weight
719.900000
Exact Mass
719.445591
InChI
InChI=1S/C36H65NO13/c1-13-25-36(10,44)29(40)22(6)37(11)17-18(2)15-34(8,43)31(50-33-27(39)24(38)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/h18-23,25-31,33,39-41,43-44H,13-17H2,1-12H3/t18-,19-,20+,21-,22-,23+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1
InChIKey
AMNAVVMCWWSBHN-AWHKAWBESA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Fraction Csp3
0.94
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
5
Molar refractivity
181.71
TPSA
193.91
LogP / Solubility
WLOGP
1.54
MLOGP
1.42
XLogP3
3.3
Consensus LogP
2.09
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
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)
-6.02
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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