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CAS 527-75-3 ERYTHROMYCIN B molecular structure lightbox
CAS RN: 527-75-3

ERYTHROMYCIN B

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Batchno.20250513 1mg Out of stock Inquiry
Batchno.20250912 5mg In stock Inquiry
  • Product code: starshine_CAS527-75-3
  • Purity/Analytical Methods: >99.0%
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527-75-3 / (3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Standard CAS: 527-75-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
527-75-3
Multi CAS
Yes
Molecular Formula
C37H67NO12
Molecular Weight
717.900000
Exact Mass
717.466327
InChI
InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19?,20+,21+,22?,23-,24?,25?,26-,27?,29+,30?,31+,32?,33-,35?,36-,37?/m1/s1
InChIKey
IDRYSCOQVVUBIJ-ZTOAHLHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.95
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
4
Molar refractivity
184.8
TPSA
173.68

LogP / Solubility

WLOGP
2.67
MLOGP
2.41
XLogP3
3.9
Consensus LogP
2.99
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
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)
-5.2

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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