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CAS 82230-93-1 16-Hydroxyerythromycin molecular structure lightbox
CAS RN: 82230-93-1

16-Hydroxyerythromycin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS82230-93-1
  • Purity/Analytical Methods: >99.0%
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82230-93-1 / 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3-(hydroxymethyl)-5,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione

Standard CAS: 82230-93-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82230-93-1
Multi CAS
Yes
Molecular Formula
C37H67NO14
Molecular Weight
749.900000
Exact Mass
749.456156
InChI
InChI=1S/C37H67NO14/c1-13-25-37(9,46)30(42)20(4)27(40)18(2)15-35(7,45)32(52-34-28(41)24(38(10)11)14-19(3)48-34)21(5)29(23(17-39)33(44)50-25)51-26-16-36(8,47-12)31(43)22(6)49-26/h18-26,28-32,34,39,41-43,45-46H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
DZCOSWPAQGXWKC-TZIZHKBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
15
H-bond donors
6
Molar refractivity
187.67
TPSA
214.14

LogP / Solubility

WLOGP
0.76
MLOGP
0.73
XLogP3
2
Consensus LogP
1.16
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.12
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.76

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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