CAS RN: 763924-54-5

2-Desethyl-2-propylazithromycin

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Batchno.20250514 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS763924-54-5
  • Purity/Analytical Methods: >99.0%
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763924-54-5 / (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-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-2-propyl-1-oxa-6-azacyclopentadecan-15-one

Standard CAS: 763924-54-5 Multi CAS: Yes

Basic Information

CAS
763924-54-5
Multi CAS
Yes
Molecular Formula
C39H74N2O12
Molecular Weight
763.000000
Exact Mass
762.524176
InChI
InChI=1S/C39H74N2O12/c1-15-16-28-39(10,47)32(43)25(6)41(13)20-21(2)18-37(8,46)34(53-36-30(42)27(40(11)12)17-22(3)49-36)23(4)31(24(5)35(45)51-28)52-29-19-38(9,48-14)33(44)26(7)50-29/h21-34,36,42-44,46-47H,15-20H2,1-14H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1
InChIKey
PMJMEZRLHVDXSC-SBXXAWCKSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.97
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
5
Molar refractivity
198.8
TPSA
180.08

LogP / Solubility

WLOGP
2.29
MLOGP
2.08
XLogP3
4.4
Consensus LogP
2.92
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.48
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)
-5.75

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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