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CAS 85234-63-5 21-Dehydro Budesonide molecular structure lightbox
CAS RN: 85234-63-5

21-Dehydro Budesonide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS85234-63-5
  • Purity/Analytical Methods: >99.0%
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85234-63-5 / 2-(11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl)-2-oxoacetaldehyde

Standard CAS: 85234-63-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85234-63-5
Multi CAS
Yes
Molecular Formula
C25H32O6
Molecular Weight
428.500000
Exact Mass
428.219889
InChI
InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,13,16-18,20-22,28H,4-7,11-12H2,1-3H3
InChIKey
UHEOYIKQUMWUPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.72
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
111.84
TPSA
89.9

LogP / Solubility

WLOGP
2.92
MLOGP
2.6
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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)
-3.26

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
8

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