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CAS 81103-14-2 6,11-Di-O-Methyl ErythroMycin molecular structure lightbox
CAS RN: 81103-14-2

6,11-Di-O-Methyl ErythroMycin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS81103-14-2
  • Purity/Analytical Methods: >99.0%
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81103-14-2 / 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Standard CAS: 81103-14-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81103-14-2
Multi CAS
Yes
Molecular Formula
C39H71NO13
Molecular Weight
762.000000
Exact Mass
761.492541
InChI
InChI=1S/C39H71NO13/c1-16-27-39(10,45)34(46-13)22(4)29(41)20(2)18-38(9,48-15)33(53-36-30(42)26(40(11)12)17-21(3)49-36)23(5)31(24(6)35(44)51-27)52-28-19-37(8,47-14)32(43)25(7)50-28/h20-28,30-34,36,42-43,45H,16-19H2,1-15H3
InChIKey
DWRKNXHSSDFLOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.95
Rotatable bonds
9
H-bond acceptors
14
H-bond donors
3
Molar refractivity
195.84
TPSA
171.91

LogP / Solubility

WLOGP
3.09
MLOGP
2.79
XLogP3
3.7
Consensus LogP
3.19
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
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)
-5.17

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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