CAS RN: 53066-26-5
Lexithromycin
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| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250129 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS53066-26-5
- Purity/Analytical Methods: >99.0%
53066-26-5 / (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Basic Information
CAS
53066-26-5
Multi CAS
Yes
Molecular Formula
C38H70N2O13
Molecular Weight
763.000000
Exact Mass
762.487790
InChI
InChI=1S/C38H70N2O13/c1-15-26-38(10,46)31(42)21(4)28(39-48-14)19(2)17-36(8,45)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-37(9,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3/b39-28+/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
HPZGUSZNXKOMCQ-SQYJNGITSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
15
H-bond donors
5
Molar refractivity
195.69
TPSA
198.43
LogP / Solubility
WLOGP
2.22
MLOGP
2.02
XLogP3
3.3
Consensus LogP
2.51
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
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)
-5.8
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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- CAS RN: 53078-35-6
- Product Code: starshine_CAS53078-35-6
- Purity/Analytical method: >99.0%
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