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CAS 131918-73-5 Budesonide Impurity 6 molecular structure lightbox
CAS RN: 131918-73-5

Budesonide Impurity 6

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS131918-73-5
  • Purity/Analytical Methods: >99.0%
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131918-73-5 / (8R,9S,10R,11S,13S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

Standard CAS: 131918-73-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131918-73-5
Multi CAS
No
Molecular Formula
C21H26O6
Molecular Weight
374.400000
Exact Mass
374.172939
SMILES
C[C@]12C[C@@H]([C@H]3[C@H](C1=C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI
InChI=1S/C21H26O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-8,13,15-16,18,22,24-25,27H,3-4,9-10H2,1-2H3/t13-,15-,16+,18+,19-,20-,21-/m0/s1
InChIKey
DIGGLNJQCGHXQV-XUPWNSBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
96.41
TPSA
115.06

LogP / Solubility

WLOGP
0.45
MLOGP
0.42
XLogP3
0.7
Consensus LogP
0.52
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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
No
Log Kp (skin permeation)
-4.69

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
6.5

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