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CAS 35109-93-4 ADYNERIN molecular structure lightbox
CAS RN: 35109-93-4

ADYNERIN

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Batchno.20260105 5mg Out of stock Inquiry
  • Product code: starshine_CAS35109-93-4
  • Purity/Analytical Methods: >99.0%
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35109-93-4 / 3-[14-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one

Standard CAS: 35109-93-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35109-93-4
Multi CAS
Yes
Molecular Formula
C30H44O7
Molecular Weight
516.700000
Exact Mass
516.308704
InChI
InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1
InChIKey
BYZQVAOKDQTHHP-QFUJVLJYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
134.45
TPSA
86.75

LogP / Solubility

WLOGP
4.3
MLOGP
3.82
XLogP3
3.1
Consensus LogP
3.74
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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