CAS RN: 51333-22-3

Budesonide

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6 package records6 with current stock2 grade groups
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Batchno.20250914 1ml In stock Inquiry
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  • Product code: ICTB3909
  • Purity/Analytical Methods: >98.0%(HPLC)
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51333-22-3 / 11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Standard CAS: 51333-22-3 Multi CAS: Yes

Basic Information

CAS
51333-22-3
Multi CAS
Yes
Molecular Formula
C25H34O6
Molecular Weight
430.500000
Exact Mass
430.235539
InChI
InChI=1S/C25H34O6/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/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3
InChIKey
VOVIALXJUBGFJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.76
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
112.87
TPSA
93.06

LogP / Solubility

WLOGP
2.72
MLOGP
2.42
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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