CAS RN: 612069-28-0
3’-N-Desmethyl-3’-N-formyl 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.20250904 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS612069-28-0
- Purity/Analytical Methods: >99.0%
612069-28-0 / N-[(2S,3R,4S,6R)-2-[[(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-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N-methylformamide
Basic Information
CAS
612069-28-0
Multi CAS
Yes
Molecular Formula
C38H70N2O13
Molecular Weight
763.000000
Exact Mass
762.487790
InChI
InChI=1S/C38H70N2O13/c1-14-27-38(10,47)31(43)24(6)39(11)18-20(2)16-36(8,46)33(53-35-29(42)26(40(12)19-41)15-21(3)49-35)22(4)30(23(5)34(45)51-27)52-28-17-37(9,48-13)32(44)25(7)50-28/h19-33,35,42-44,46-47H,14-18H2,1-13H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
QNGDWLRYIAHQGP-BICOPXKESA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
5
Molar refractivity
194.32
TPSA
197.15
LogP / Solubility
WLOGP
1.43
MLOGP
1.32
XLogP3
3.5
Consensus LogP
2.08
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
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)
-6.36
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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