CAS RN: 3521-62-8
Erythromycin Estolate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251027 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Guangdong, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 5mg / 25mg / 100mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS3521-62-8
- Purity/Analytical Methods: >99.0%
3521-62-8 / [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate
Basic Information
CAS
3521-62-8
Multi CAS
Yes
Molecular Formula
C52H97NO18S
Molecular Weight
1056.400000
Exact Mass
1055.642636
InChI
InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1
InChIKey
AWMFUEJKWXESNL-JZBHMOKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Fraction Csp3
0.94
Rotatable bonds
21
H-bond acceptors
18
H-bond donors
5
Molar refractivity
269.77
TPSA
263.58
LogP / Solubility
WLOGP
6.47
MLOGP
5.8
XLogP3
6.47
Consensus LogP
6.25
Log S (ESOL)
-9.08
Class (ESOL)
Insoluble
Log S (Ali)
-12.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.42
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
Yes
Log Kp (skin permeation)
-4.57
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
