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CAS 27570-38-3 (22R)-5α,17α-Dihydroxy-6α,7α:22,26-diepoxyergosta-2,24-diene-1,26-dione molecular structure lightbox
CAS RN: 27570-38-3

(22R)-5α,17α-Dihydroxy-6α,7α:22,26-diepoxyergosta-2,24-diene-1,26-dione

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 10mg In stock Shanghai Inquiry
Batchno.20251225 1mg In stock Shanghai Inquiry
Batchno.20250826 5mg In stock Shanghai Inquiry
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Batchno.20250425 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS27570-38-3
  • Purity/Analytical Methods: >99.0%
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27570-38-3 / 15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

Standard CAS: 27570-38-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27570-38-3
Multi CAS
Yes
Molecular Formula
C28H38O6
Molecular Weight
470.600000
Exact Mass
470.266839
InChI
InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3
InChIKey
FAZIYUIDUNHZRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.79
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
124.51
TPSA
96.36

LogP / Solubility

WLOGP
3.5
MLOGP
3.11
XLogP3
3.1
Consensus LogP
3.24
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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