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CAS 55732-36-0 3-Deoxo-1β-methoxyjioglutolide molecular structure lightbox
CAS RN: 55732-36-0

3-Deoxo-1β-methoxyjioglutolide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS55732-36-0
  • Purity/Analytical Methods: >99.0%
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55732-36-0 / (4aR,7R,7aS)-1-methoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,7-diol

Standard CAS: 55732-36-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55732-36-0
Multi CAS
Yes
Molecular Formula
C10H18O4
Molecular Weight
202.250000
Exact Mass
202.120509
InChI
InChI=1S/C10H18O4/c1-10(12)5-7(11)6-3-4-14-9(13-2)8(6)10/h6-9,11-12H,3-5H2,1-2H3/t6-,7?,8+,9?,10+/m0/s1
InChIKey
ZRPGORFOYNHNMD-PQJLALOKSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.59
TPSA
58.92

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
-0.2
Consensus LogP
0.01
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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