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CAS 638203-32-4 Phyllostadimer A molecular structure lightbox
CAS RN: 638203-32-4

Phyllostadimer A

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS638203-32-4
  • Purity/Analytical Methods: >99.0%
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638203-32-4 / 4-[(2S,5S,6R)-6-[(2R,5R,6S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol

Standard CAS: 638203-32-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
638203-32-4
Multi CAS
Yes
Molecular Formula
C42H50O16
Molecular Weight
810.800000
Exact Mass
810.309886
InChI
InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)43)37(45)35-19-57-41(23-13-31(51-3)39(47)32(14-23)52-4)25(17-55-35)26-18-56-36(38(46)22-8-10-28(44)30(12-22)50-2)20-58-42(26)24-15-33(53-5)40(48)34(16-24)54-6/h7-16,25-26,35-38,41-48H,17-20H2,1-6H3/t25-,26+,35-,36+,37?,38?,41+,42-
InChIKey
LXZQSRKEZKPRBC-GMNNXKACSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
24
Fraction Csp3
0.43
Rotatable bonds
13
H-bond acceptors
16
H-bond donors
6
Molar refractivity
205.5
TPSA
213.68

LogP / Solubility

WLOGP
4.87
MLOGP
4.36
XLogP3
3
Consensus LogP
4.08
Log S (ESOL)
-7.39
Class (ESOL)
Insoluble
Log S (Ali)
-9.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5

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