CAS RN: 765927-71-7

3′-N,N-Di(desMethyl)-3′-N-forMyl AzithroMycin

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Batchno.20250927 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS765927-71-7
  • Purity/Analytical Methods: >99.0%
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765927-71-7 / 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]formamide

Standard CAS: 765927-71-7 Multi CAS: Yes

Basic Information

CAS
765927-71-7
Multi CAS
Yes
Molecular Formula
C37H68N2O13
Molecular Weight
748.900000
Exact Mass
748.472140
InChI
InChI=1S/C37H68N2O13/c1-13-26-37(10,46)30(42)23(6)39(11)17-19(2)15-35(8,45)32(52-34-28(41)25(38-18-40)14-20(3)48-34)21(4)29(22(5)33(44)50-26)51-27-16-36(9,47-12)31(43)24(7)49-27/h18-32,34,41-43,45-46H,13-17H2,1-12H3,(H,38,40)/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
FSUFNIVRKKVCSI-HOQMJRDDSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
6
Molar refractivity
189.69
TPSA
205.94

LogP / Solubility

WLOGP
1.09
MLOGP
1.02
XLogP3
3.3
Consensus LogP
1.8
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
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)
-6.52

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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